N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide

C19H27N3O3 — CID 119738923

IUPACN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2COCCN2)c1)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c23-18(15-6-2-1-3-7-15)22-16-8-4-5-14(11-16)12-21-19(24)17-13-25-10-9-20-17/h4-5,8,11,15,17,20H,1-3,6-7,9-10,12-13H2,(H,21,24)(H,22,23)
InChIKeyZFGAUBXKLNAWHK-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.81
Rot. Bonds5

About N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide

N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119738923) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
PubChem CID119738923
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2COCCN2)c1)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c23-18(15-6-2-1-3-7-15)22-16-8-4-5-14(11-16)12-21-19(24)17-13-25-10-9-20-17/h4-5,8,11,15,17,20H,1-3,6-7,9-10,12-13H2,(H,21,24)(H,22,23)
InChIKeyZFGAUBXKLNAWHK-UHFFFAOYSA-N
XLogP1.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-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

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120926374
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 120914967
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
N-[3-[[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]methyl]phenyl]cyclohexanecarboxamide
CID 109384691
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide (CID 119738923) is N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide is O=C(Nc1cccc(CNC(=O)C2COCCN2)c1)C1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is ZFGAUBXKLNAWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(15-6-2-1-3-7-15)22-16-8-4-5-14(11-16)12-21-19(24)17-13-25-10-9-20-17/h4-5,8,11,15,17,20H,1-3,6-7,9-10,12-13H2,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide?
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119738923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).