N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide

C17H23N3O2 — CID 48645772

IUPACN-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NC1CC1
InChIInChI=1S/C17H23N3O2/c1-11-10-12(16(21)18-13-4-2-3-5-13)6-9-15(11)20-17(22)19-14-7-8-14/h6,9-10,13-14H,2-5,7-8H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyAIRRDYXWCCJFDY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.95
Rot. Bonds4

About N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide

N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide (PubChem CID 48645772) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
PubChem CID48645772
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NC1CC1
InChIInChI=1S/C17H23N3O2/c1-11-10-12(16(21)18-13-4-2-3-5-13)6-9-15(11)20-17(22)19-14-7-8-14/h6,9-10,13-14H,2-5,7-8H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyAIRRDYXWCCJFDY-UHFFFAOYSA-N
XLogP2.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
CID 119305974
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide?
The IUPAC name of N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide (CID 48645772) is N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide?
The canonical SMILES for N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NC1CC1.
What is the InChIKey of N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide?
The InChIKey is AIRRDYXWCCJFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-10-12(16(21)18-13-4-2-3-5-13)6-9-15(11)20-17(22)19-14-7-8-14/h6,9-10,13-14H,2-5,7-8H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide?
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide is sourced from PubChem (CID 48645772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).