N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119685241

IUPACN-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(2)14(19)17-11-3-5-12(6-4-11)18-15(20)13-9-21-8-7-16-13;/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyHPAOHXUEINHOFI-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.63
Rot. Bonds4

About N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride

N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119685241) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119685241
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(2)14(19)17-11-3-5-12(6-4-11)18-15(20)13-9-21-8-7-16-13;/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyHPAOHXUEINHOFI-UHFFFAOYSA-N
XLogP1.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103808067
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N-[4-(ethylcarbamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
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(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
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CID 119761499

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119685241) is N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride is CC(C)C(=O)Nc1ccc(NC(=O)C2COCCN2)cc1.Cl.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is HPAOHXUEINHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-10(2)14(19)17-11-3-5-12(6-4-11)18-15(20)13-9-21-8-7-16-13;/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119685241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).