N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide

C17H26N4O2 — CID 119588727

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C17H26N4O2/c1-11(2)8-15(10-18)19-16(22)12-4-3-5-14(9-12)21-17(23)20-13-6-7-13/h3-5,9,11,13,15H,6-8,10,18H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyVXUMFJVATYYXGM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.07
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide

N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide (PubChem CID 119588727) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
PubChem CID119588727
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C17H26N4O2/c1-11(2)8-15(10-18)19-16(22)12-4-3-5-14(9-12)21-17(23)20-13-6-7-13/h3-5,9,11,13,15H,6-8,10,18H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyVXUMFJVATYYXGM-UHFFFAOYSA-N
XLogP2.07
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide (CID 119588727) is N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide is CC(C)CC(CN)NC(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is VXUMFJVATYYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)8-15(10-18)19-16(22)12-4-3-5-14(9-12)21-17(23)20-13-6-7-13/h3-5,9,11,13,15H,6-8,10,18H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide?
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 119588727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).