N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride

C15H20ClN3O3 — CID 119710451

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(NC(=O)C2COCCN2)c1)C1CC1
InChIInChI=1S/C15H19N3O3.ClH/c19-14(10-4-5-10)17-11-2-1-3-12(8-11)18-15(20)13-9-21-7-6-16-13;/h1-3,8,10,13,16H,4-7,9H2,(H,17,19)(H,18,20);1H
InChIKeyMCSVVHLHPNOQAU-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.38
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride

N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119710451) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119710451
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(NC(=O)C2COCCN2)c1)C1CC1
InChIInChI=1S/C15H19N3O3.ClH/c19-14(10-4-5-10)17-11-2-1-3-12(8-11)18-15(20)13-9-21-7-6-16-13;/h1-3,8,10,13,16H,4-7,9H2,(H,17,19)(H,18,20);1H
InChIKeyMCSVVHLHPNOQAU-UHFFFAOYSA-N
XLogP1.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119701038
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119710451) is N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(NC(=O)C2COCCN2)c1)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is MCSVVHLHPNOQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c19-14(10-4-5-10)17-11-2-1-3-12(8-11)18-15(20)13-9-21-7-6-16-13;/h1-3,8,10,13,16H,4-7,9H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119710451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).