(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide

C16H22ClN3O3 — CID 92987988

IUPAC(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C16H22ClN3O3/c17-13-2-1-3-14(10-13)18-16(21)20-6-9-23-15(12-20)11-19-4-7-22-8-5-19/h1-3,10,15H,4-9,11-12H2,(H,18,21)/t15-/m0/s1
InChIKeyHKTKJPUKABBFDU-HNNXBMFYSA-N
MW339.82 g/mol
LogP1.90
Rot. Bonds3

About (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide

(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide (PubChem CID 92987988) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
PubChem CID92987988
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C16H22ClN3O3/c17-13-2-1-3-14(10-13)18-16(21)20-6-9-23-15(12-20)11-19-4-7-22-8-5-19/h1-3,10,15H,4-9,11-12H2,(H,18,21)/t15-/m0/s1
InChIKeyHKTKJPUKABBFDU-HNNXBMFYSA-N
XLogP1.90
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(4-chloro-2,6-dimethylphenyl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 97434875
(2S)-2-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]morpholine-4-carboxylic acid
CID 67220680
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 97434196
(2S)-2-(2-aminoethyl)-N-[4-(3-chlorophenyl)phenyl]morpholine-4-carboxamide
CID 125164851
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203
(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
CID 54011116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide (CID 92987988) is (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)C1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide?
The InChIKey is HKTKJPUKABBFDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c17-13-2-1-3-14(10-13)18-16(21)20-6-9-23-15(12-20)11-19-4-7-22-8-5-19/h1-3,10,15H,4-9,11-12H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide?
(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 92987988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).