4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide

C18H27N3O2 — CID 119305974

IUPAC4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C18H27N3O2/c1-3-6-15(19)18(23)21-16-10-9-13(11-12(16)2)17(22)20-14-7-4-5-8-14/h9-11,14-15H,3-8,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZEPTUKOWFRBHHY-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.73
Rot. Bonds6

About 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide

4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide (PubChem CID 119305974) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
PubChem CID119305974
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C18H27N3O2/c1-3-6-15(19)18(23)21-16-10-9-13(11-12(16)2)17(22)20-14-7-4-5-8-14/h9-11,14-15H,3-8,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZEPTUKOWFRBHHY-UHFFFAOYSA-N
XLogP2.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
methyl 4-[[(2S)-2-aminopentanoyl]amino]-3-methylbenzoate
CID 107568716
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
4-(2-aminobutanoylamino)-3-methylbenzoic acid
CID 43714054

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide?
The IUPAC name of 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide (CID 119305974) is 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide.
What is the SMILES notation for 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide?
The canonical SMILES for 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide is CCCC(N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C.
What is the InChIKey of 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide?
The InChIKey is ZEPTUKOWFRBHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-6-15(19)18(23)21-16-10-9-13(11-12(16)2)17(22)20-14-7-4-5-8-14/h9-11,14-15H,3-8,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide?
4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide is sourced from PubChem (CID 119305974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).