N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide

C16H21N3O3 — CID 119713511

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1COCCN1
InChIInChI=1S/C16H21N3O3/c1-10-2-3-11(15(20)18-12-4-5-12)8-13(10)19-16(21)14-9-22-7-6-17-14/h2-3,8,12,14,17H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyPRULVKBGSVUWHU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.81
Rot. Bonds4

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide (PubChem CID 119713511) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
PubChem CID119713511
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1COCCN1
InChIInChI=1S/C16H21N3O3/c1-10-2-3-11(15(20)18-12-4-5-12)8-13(10)19-16(21)14-9-22-7-6-17-14/h2-3,8,12,14,17H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyPRULVKBGSVUWHU-UHFFFAOYSA-N
XLogP0.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119283991
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
cis-(1R,2S)-2-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 138003102
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide (CID 119713511) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1COCCN1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide?
The InChIKey is PRULVKBGSVUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-2-3-11(15(20)18-12-4-5-12)8-13(10)19-16(21)14-9-22-7-6-17-14/h2-3,8,12,14,17H,4-7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119713511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).