N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride

C12H16ClN3O3 — CID 119687667

IUPACN-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C12H15N3O3.ClH/c13-11(16)8-2-1-3-9(6-8)15-12(17)10-7-18-5-4-14-10;/h1-3,6,10,14H,4-5,7H2,(H2,13,16)(H,15,17);1H
InChIKeyXGEDSWWJVGBZOA-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.13
Rot. Bonds3

About N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride

N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119687667) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
PubChem CID119687667
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C12H15N3O3.ClH/c13-11(16)8-2-1-3-9(6-8)15-12(17)10-7-18-5-4-14-10;/h1-3,6,10,14H,4-5,7H2,(H2,13,16)(H,15,17);1H
InChIKeyXGEDSWWJVGBZOA-UHFFFAOYSA-N
XLogP0.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119701038

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride (CID 119687667) is N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(NC(=O)C2COCCN2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is XGEDSWWJVGBZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c13-11(16)8-2-1-3-9(6-8)15-12(17)10-7-18-5-4-14-10;/h1-3,6,10,14H,4-5,7H2,(H2,13,16)(H,15,17);1H.
What are the key properties of N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride?
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119687667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).