3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide

C14H19N3O2 — CID 47128702

IUPAC3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(NC(N)=O)c1)C1CCCC1
InChIInChI=1S/C14H19N3O2/c1-17(12-7-2-3-8-12)13(18)10-5-4-6-11(9-10)16-14(15)19/h4-6,9,12H,2-3,7-8H2,1H3,(H3,15,16,19)
InChIKeyBRNCGMYPPQJDHP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds3

About 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide

3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide (PubChem CID 47128702) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
PubChem CID47128702
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(NC(N)=O)c1)C1CCCC1
InChIInChI=1S/C14H19N3O2/c1-17(12-7-2-3-8-12)13(18)10-5-4-6-11(9-10)16-14(15)19/h4-6,9,12H,2-3,7-8H2,1H3,(H3,15,16,19)
InChIKeyBRNCGMYPPQJDHP-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 16676164
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963711
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
CID 82179274

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide (CID 47128702) is 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide is CN(C(=O)c1cccc(NC(N)=O)c1)C1CCCC1.
What is the InChIKey of 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide?
The InChIKey is BRNCGMYPPQJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(12-7-2-3-8-12)13(18)10-5-4-6-11(9-10)16-14(15)19/h4-6,9,12H,2-3,7-8H2,1H3,(H3,15,16,19).
What are the key properties of 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide?
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide is sourced from PubChem (CID 47128702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).