N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride

C20H30ClN3O3 — CID 119810681

IUPACN-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(CNC(=O)C3CNCCO3)CCCC2)cc1C.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-14-5-6-16(11-15(14)2)23-19(25)20(7-3-4-8-20)13-22-18(24)17-12-21-9-10-26-17;/h5-6,11,17,21H,3-4,7-10,12-13H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyGMSGIXKSGDVXQD-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.33
Rot. Bonds5

About N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119810681) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119810681
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(CNC(=O)C3CNCCO3)CCCC2)cc1C.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-14-5-6-16(11-15(14)2)23-19(25)20(7-3-4-8-20)13-22-18(24)17-12-21-9-10-26-17;/h5-6,11,17,21H,3-4,7-10,12-13H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyGMSGIXKSGDVXQD-UHFFFAOYSA-N
XLogP2.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
CID 119339009
1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445861
1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 119810650
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339036
N-[(1-ethylcyclobutyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119782167
1-[[(3-amino-2-methylbutanoyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 120501902
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
CID 120637216
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119761194
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119810681) is N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2(CNC(=O)C3CNCCO3)CCCC2)cc1C.Cl.
What is the InChIKey of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is GMSGIXKSGDVXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-14-5-6-16(11-15(14)2)23-19(25)20(7-3-4-8-20)13-22-18(24)17-12-21-9-10-26-17;/h5-6,11,17,21H,3-4,7-10,12-13H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119810681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).