3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide

C15H21N3O2 — CID 47298640

IUPAC3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)9-16-14(19)11-4-3-5-13(8-11)18-15(20)17-12-6-7-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyWQUGVJTZNHZMDK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.36
Rot. Bonds5

About 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide

3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide (PubChem CID 47298640) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
PubChem CID47298640
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)9-16-14(19)11-4-3-5-13(8-11)18-15(20)17-12-6-7-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyWQUGVJTZNHZMDK-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
CID 119588727
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide
CID 100652462
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148
4-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120543071
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55883630

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide (CID 47298640) is 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is WQUGVJTZNHZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)9-16-14(19)11-4-3-5-13(8-11)18-15(20)17-12-6-7-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide?
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 47298640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).