N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide

C13H16N2O2 — CID 46410880

IUPACN-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C13H16N2O2/c1-9-2-6-11(7-3-9)15-12(16)8-14-13(17)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyWUEIXEAYESKJQM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.46
Rot. Bonds4

About N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 46410880) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID46410880
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C13H16N2O2/c1-9-2-6-11(7-3-9)15-12(16)8-14-13(17)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyWUEIXEAYESKJQM-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 113000138
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide (CID 46410880) is N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is WUEIXEAYESKJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-2-6-11(7-3-9)15-12(16)8-14-13(17)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46410880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).