(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate

C24H33N3O5 — CID 67300980

IUPAC(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESN#CC(COCc1ccccc1)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C24H33N3O5/c25-16-21(18-31-17-20-9-5-2-6-10-20)32-24(29)26-22(15-19-7-3-1-4-8-19)23(28)27-11-13-30-14-12-27/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-15,17-18H2,(H,26,29)/t21?,22-/m1/s1
InChIKeyVYXMAAVNZPVBKV-FOIFJWKZSA-N
MW443.54 g/mol
LogP3.02
Rot. Bonds9

About (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate

(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate (PubChem CID 67300980) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
PubChem CID67300980
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESN#CC(COCc1ccccc1)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C24H33N3O5/c25-16-21(18-31-17-20-9-5-2-6-10-20)32-24(29)26-22(15-19-7-3-1-4-8-19)23(28)27-11-13-30-14-12-27/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-15,17-18H2,(H,26,29)/t21?,22-/m1/s1
InChIKeyVYXMAAVNZPVBKV-FOIFJWKZSA-N
XLogP3.02
TPSA100.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 59324457
N-[3-cyclohexyl-1-[[3,4-dioxo-4-(2-phenylethylamino)-1-phenylmethoxybutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 75987340
N-[(2R)-3-cyclohexyl-1-[[4-(2,6-dimethylanilino)-3,4-dioxo-1-phenylmethoxybutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 67326160
N-[(2S)-1-[[(2S)-4-(4-chloroanilino)-3,4-dioxo-1-phenylmethoxybutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 53241801
N-[3-cyclohexyl-1-[[4-(4-fluoroanilino)-3,4-dioxo-1-phenylmethoxybutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 75987405
N-[3-cyclohexyl-1-[[3-hydroxy-4-oxo-1-phenylmethoxy-4-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 77267393
ethyl 2-[[(3S)-3-[[(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]-2-hydroxy-4-phenylmethoxybutanoyl]amino]acetate
CID 46832806
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
N-[1-[(1-benzyl-3-cyanoazetidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260421
[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4-methyl-1-oxopent-4-en-2-yl] morpholine-4-carboxylate
CID 58582044
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807

Frequently Asked Questions

What is the IUPAC name of (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate (CID 67300980) is (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate is N#CC(COCc1ccccc1)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is VYXMAAVNZPVBKV-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H33N3O5/c25-16-21(18-31-17-20-9-5-2-6-10-20)32-24(29)26-22(15-19-7-3-1-4-8-19)23(28)27-11-13-30-14-12-27/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-15,17-18H2,(H,26,29)/t21?,22-/m1/s1.
What are the key properties of (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 443.54 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 67300980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).