N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide

C22H29N3O6 — CID 144719335

IUPACN-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide
SMILESC[C@]1(C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C2CCOCC2)CO1
InChIInChI=1S/C22H29N3O6/c1-22(14-31-22)20(28)17(11-15-5-3-2-4-6-15)25-19(27)13-23-18(26)12-24-21(29)16-7-9-30-10-8-16/h2-6,16-17H,7-14H2,1H3,(H,23,26)(H,24,29)(H,25,27)/t17?,22-/m1/s1
InChIKeyJKTWVKXFEYLXOZ-IVAFLUGOSA-N
MW431.49 g/mol
LogP-0.27
Rot. Bonds10

About N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide

N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 144719335) has the molecular formula C22H29N3O6 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID144719335
Molecular FormulaC22H29N3O6
Molecular Weight431.49 g/mol
Exact Mass431.21
IUPAC NameN-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide
SMILESC[C@]1(C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C2CCOCC2)CO1
InChIInChI=1S/C22H29N3O6/c1-22(14-31-22)20(28)17(11-15-5-3-2-4-6-15)25-19(27)13-23-18(26)12-24-21(29)16-7-9-30-10-8-16/h2-6,16-17H,7-14H2,1H3,(H,23,26)(H,24,29)(H,25,27)/t17?,22-/m1/s1
InChIKeyJKTWVKXFEYLXOZ-IVAFLUGOSA-N
XLogP-0.27
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[2-[[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 59254498
[(2S)-1-[(2S)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamic acid;2-methylpropane;molecular hydrogen
CID 144576375
2,2,2-trifluoro-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 59499460
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
(2S)-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]hexanamide
CID 146507439
N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 112992423
(2S)-2-[3-(methoxymethoxy)propanoylamino]-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]propanamide
CID 144719126
N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 143460307
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
(2S)-N-[2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanamide
CID 118554450
1-methoxy-4-methylbenzene;3,3,3-trifluoro-2-methyl-N-[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]propanamide
CID 144719180
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide (CID 144719335) is N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide is C[C@]1(C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C2CCOCC2)CO1.
What is the InChIKey of N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is JKTWVKXFEYLXOZ-IVAFLUGOSA-N. The full InChI is InChI=1S/C22H29N3O6/c1-22(14-31-22)20(28)17(11-15-5-3-2-4-6-15)25-19(27)13-23-18(26)12-24-21(29)16-7-9-30-10-8-16/h2-6,16-17H,7-14H2,1H3,(H,23,26)(H,24,29)(H,25,27)/t17?,22-/m1/s1.
What are the key properties of N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide?
N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of -0.27, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 144719335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).