2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide

C14H19N3O2 — CID 47158827

IUPAC2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)NC2CC2)cc1C
InChIInChI=1S/C14H19N3O2/c1-9-3-4-12(7-10(9)2)16-13(18)8-15-14(19)17-11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyZKHUKGDTTACDHQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds4

About 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide

2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 47158827) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
PubChem CID47158827
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)NC2CC2)cc1C
InChIInChI=1S/C14H19N3O2/c1-9-3-4-12(7-10(9)2)16-13(18)8-15-14(19)17-11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyZKHUKGDTTACDHQ-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclopropylcarbamoylamino)acetamide
CID 112999758
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 4981107
2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide
CID 47294974
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130913
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide (CID 47158827) is 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CNC(=O)NC2CC2)cc1C.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZKHUKGDTTACDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-3-4-12(7-10(9)2)16-13(18)8-15-14(19)17-11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide?
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 47158827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).