N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide

C16H21N3O3 — CID 51081890

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C16H21N3O3/c1-11-2-3-12(15(20)17-13-4-5-13)10-14(11)18-16(21)19-6-8-22-9-7-19/h2-3,10,13H,4-9H2,1H3,(H,17,20)(H,18,21)
InChIKeyMZXZMLGPPPGPMG-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.75
Rot. Bonds3

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide (PubChem CID 51081890) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
PubChem CID51081890
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C16H21N3O3/c1-11-2-3-12(15(20)17-13-4-5-13)10-14(11)18-16(21)19-6-8-22-9-7-19/h2-3,10,13H,4-9H2,1H3,(H,17,20)(H,18,21)
InChIKeyMZXZMLGPPPGPMG-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
CID 81197872
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
CID 119713511
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide (CID 51081890) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide?
The InChIKey is MZXZMLGPPPGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-2-3-12(15(20)17-13-4-5-13)10-14(11)18-16(21)19-6-8-22-9-7-19/h2-3,10,13H,4-9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide is sourced from PubChem (CID 51081890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).