N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide

C14H17N3O2 — CID 17180568

IUPACN-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1CC1
InChIInChI=1S/C14H17N3O2/c18-13(15-10-5-6-10)9-1-3-11(4-2-9)16-14(19)17-12-7-8-12/h1-4,10,12H,5-8H2,(H,15,18)(H2,16,17,19)
InChIKeyQJJQRLHDIHVUST-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.86
Rot. Bonds4

About N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide

N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide (PubChem CID 17180568) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
PubChem CID17180568
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1CC1
InChIInChI=1S/C14H17N3O2/c18-13(15-10-5-6-10)9-1-3-11(4-2-9)16-14(19)17-12-7-8-12/h1-4,10,12H,5-8H2,(H,15,18)(H2,16,17,19)
InChIKeyQJJQRLHDIHVUST-UHFFFAOYSA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374815
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide (CID 17180568) is N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide is O=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is QJJQRLHDIHVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13(15-10-5-6-10)9-1-3-11(4-2-9)16-14(19)17-12-7-8-12/h1-4,10,12H,5-8H2,(H,15,18)(H2,16,17,19).
What are the key properties of N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide?
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 17180568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).