(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide

C20H29N3O3 — CID 120926374

IUPAC(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H29N3O3/c1-14-18(21-10-11-26-14)20(25)22-13-15-6-5-9-17(12-15)23-19(24)16-7-3-2-4-8-16/h5-6,9,12,14,16,18,21H,2-4,7-8,10-11,13H2,1H3,(H,22,25)(H,23,24)/t14-,18+/m1/s1
InChIKeyOJSVDPVUOYQJHC-KDOFPFPSSA-N
MW359.47 g/mol
LogP2.20
Rot. Bonds5

About (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120926374) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120926374
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H29N3O3/c1-14-18(21-10-11-26-14)20(25)22-13-15-6-5-9-17(12-15)23-19(24)16-7-3-2-4-8-16/h5-6,9,12,14,16,18,21H,2-4,7-8,10-11,13H2,1H3,(H,22,25)(H,23,24)/t14-,18+/m1/s1
InChIKeyOJSVDPVUOYQJHC-KDOFPFPSSA-N
XLogP2.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939999
(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120940530
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide (CID 120926374) is (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is OJSVDPVUOYQJHC-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-18(21-10-11-26-14)20(25)22-13-15-6-5-9-17(12-15)23-19(24)16-7-3-2-4-8-16/h5-6,9,12,14,16,18,21H,2-4,7-8,10-11,13H2,1H3,(H,22,25)(H,23,24)/t14-,18+/m1/s1.
What are the key properties of (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120926374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).