(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide

C19H26ClN3O3 — CID 120926979

IUPAC(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H26ClN3O3/c1-12-17(21-9-10-26-12)19(25)23-14-7-8-16(20)15(11-14)18(24)22-13-5-3-2-4-6-13/h7-8,11-13,17,21H,2-6,9-10H2,1H3,(H,22,24)(H,23,25)/t12-,17+/m1/s1
InChIKeyJCSKKJXZWKERNV-PXAZEXFGSA-N
MW379.89 g/mol
LogP2.72
Rot. Bonds4

About (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120926979) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120926979
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H26ClN3O3/c1-12-17(21-9-10-26-12)19(25)23-14-7-8-16(20)15(11-14)18(24)22-13-5-3-2-4-6-13/h7-8,11-13,17,21H,2-6,9-10H2,1H3,(H,22,24)(H,23,25)/t12-,17+/m1/s1
InChIKeyJCSKKJXZWKERNV-PXAZEXFGSA-N
XLogP2.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
CID 120934412
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120926979) is (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is JCSKKJXZWKERNV-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-12-17(21-9-10-26-12)19(25)23-14-7-8-16(20)15(11-14)18(24)22-13-5-3-2-4-6-13/h7-8,11-13,17,21H,2-6,9-10H2,1H3,(H,22,24)(H,23,25)/t12-,17+/m1/s1.
What are the key properties of (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120926979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).