N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide

C32H41N3O6 — CID 122546891

IUPACN-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide
SMILESCOc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1
InChIInChI=1S/C32H41N3O6/c1-21(33-30(38)24-13-17-41-18-14-24)29(37)35-27(20-23-9-11-25(40-3)12-10-23)31(39)34-26(28(36)32(2)15-16-32)19-22-7-5-4-6-8-22/h4-12,21,24,26-27H,13-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t21-,26+,27+/m1/s1
InChIKeyJSBKELZYUJVNCB-AIGMYPEUSA-N
MW563.70 g/mol
LogP2.75
Rot. Bonds13

About N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide

N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide (PubChem CID 122546891) has the molecular formula C32H41N3O6 and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide
PubChem CID122546891
Molecular FormulaC32H41N3O6
Molecular Weight563.70 g/mol
Exact Mass563.30
IUPAC NameN-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide
SMILESCOc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1
InChIInChI=1S/C32H41N3O6/c1-21(33-30(38)24-13-17-41-18-14-24)29(37)35-27(20-23-9-11-25(40-3)12-10-23)31(39)34-26(28(36)32(2)15-16-32)19-22-7-5-4-6-8-22/h4-12,21,24,26-27H,13-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t21-,26+,27+/m1/s1
InChIKeyJSBKELZYUJVNCB-AIGMYPEUSA-N
XLogP2.75
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.70
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 148818677
(2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 118699337
N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide
CID 118699296
(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2S)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanamide
CID 118691204
benzyl N-[(2S)-1-[[3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 59360989
N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 86297508
(2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-2-carboxamide;(2R,3R)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-2-carboxamide;(2S,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-2-carboxamide;(2S,3R)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 160659343
(3R)-3-methoxy-N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
CID 164622180
benzyl (2S)-2-[[(2S)-2-[[2-(4-fluorooxan-4-yl)acetyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 176956010
(2S)-2-[[(2S)-2-[[2-(4-fluorooxan-4-yl)acetyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 176956000
N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 59217705
N-[1-[[1-[[3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3-hydroxy-4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide
CID 86298328

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide (CID 122546891) is N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide is COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.
What is the InChIKey of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide?
The InChIKey is JSBKELZYUJVNCB-AIGMYPEUSA-N. The full InChI is InChI=1S/C32H41N3O6/c1-21(33-30(38)24-13-17-41-18-14-24)29(37)35-27(20-23-9-11-25(40-3)12-10-23)31(39)34-26(28(36)32(2)15-16-32)19-22-7-5-4-6-8-22/h4-12,21,24,26-27H,13-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t21-,26+,27+/m1/s1.
What are the key properties of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide?
N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide has a molecular weight of 563.70 g/mol, XLogP of 2.75, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 122546891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).