N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C24H33ClN4O4 — CID 10896077

IUPACN-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESN#C[C@H](COCc1ccccc1Cl)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H33ClN4O4/c25-21-9-5-4-8-19(21)16-33-17-20(15-26)27-23(30)22(14-18-6-2-1-3-7-18)28-24(31)29-10-12-32-13-11-29/h4-5,8-9,18,20,22H,1-3,6-7,10-14,16-17H2,(H,27,30)(H,28,31)/t20-,22+/m1/s1
InChIKeyQQJHRFZQPHUNST-IRLDBZIGSA-N
MW477.01 g/mol
LogP3.25
Rot. Bonds9

About N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 10896077) has the molecular formula C24H33ClN4O4 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID10896077
Molecular FormulaC24H33ClN4O4
Molecular Weight477.01 g/mol
Exact Mass476.22
IUPAC NameN-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESN#C[C@H](COCc1ccccc1Cl)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H33ClN4O4/c25-21-9-5-4-8-19(21)16-33-17-20(15-26)27-23(30)22(14-18-6-2-1-3-7-18)28-24(31)29-10-12-32-13-11-29/h4-5,8-9,18,20,22H,1-3,6-7,10-14,16-17H2,(H,27,30)(H,28,31)/t20-,22+/m1/s1
InChIKeyQQJHRFZQPHUNST-IRLDBZIGSA-N
XLogP3.25
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholine-4-Carboxylic Acid (1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl)Amide
CID 5287799
N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-cyclohexyl-1-oxopropan-2-yl)morpholine-4-carboxamide
CID 10252805
Morpholine-4-carboxylic acid (1-{[(3-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 10884634
Morpholine-4-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-3,3-dimethyl-butyl}-amide
CID 11058796
Morpholine-4-carboxylic acid (1-{[(2-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 11732856
N-[(2S)-1-[[(1R)-1-cyano-2-[(2-methylphenyl)methoxy]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 10906131
N-[(2S)-1-[[(1R)-1-cyano-2-[(2-methylphenyl)methoxy]ethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 11059525
Morpholine-4-carboxylic acid (1-{[cyano-(2-methyl-benzyloxymethyl)-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 10938614
Morpholine-4-carboxylic acid (1-{[(4-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 11826257
N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
CID 46937176
(R)-N-((R)-2-(3-chlorobenzyloxy)-1-cyanoethyl)-2-(cyclohexylmethyl)-4-morpholino-4-oxobutanamide
CID 44430138
(2-Chlorophenyl)methyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 16306929

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 10896077) is N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is N#C[C@H](COCc1ccccc1Cl)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is QQJHRFZQPHUNST-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H33ClN4O4/c25-21-9-5-4-8-19(21)16-33-17-20(15-26)27-23(30)22(14-18-6-2-1-3-7-18)28-24(31)29-10-12-32-13-11-29/h4-5,8-9,18,20,22H,1-3,6-7,10-14,16-17H2,(H,27,30)(H,28,31)/t20-,22+/m1/s1.
What are the key properties of N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-2-[(2-chlorophenyl)methoxy]-1-cyanoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10896077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).