3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide

C16H23N3O2 — CID 60527660

IUPAC3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-12(4-2)17-15(20)11-6-5-7-14(10-11)19-16(21)18-13-8-9-13/h5-7,10,12-13H,3-4,8-9H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyBIENTZNAMPAGLT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds6

About 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide

3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide (PubChem CID 60527660) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
PubChem CID60527660
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-12(4-2)17-15(20)11-6-5-7-14(10-11)19-16(21)18-13-8-9-13/h5-7,10,12-13H,3-4,8-9H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyBIENTZNAMPAGLT-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
CID 119588727
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55914786
1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
CID 55882970
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 39311712
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide (CID 60527660) is 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide?
The InChIKey is BIENTZNAMPAGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12(4-2)17-15(20)11-6-5-7-14(10-11)19-16(21)18-13-8-9-13/h5-7,10,12-13H,3-4,8-9H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide?
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 60527660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).