4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide

C18H27N3O2 — CID 119283103

IUPAC4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCCN
InChIInChI=1S/C18H27N3O2/c1-13-12-14(18(23)20-15-6-3-2-4-7-15)9-10-16(13)21-17(22)8-5-11-19/h9-10,12,15H,2-8,11,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyJLVTVHTVXANKGF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.73
Rot. Bonds6

About 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide

4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide (PubChem CID 119283103) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
PubChem CID119283103
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCCN
InChIInChI=1S/C18H27N3O2/c1-13-12-14(18(23)20-15-6-3-2-4-7-15)9-10-16(13)21-17(22)8-5-11-19/h9-10,12,15H,2-8,11,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyJLVTVHTVXANKGF-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

4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
CID 55878660
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide?
The IUPAC name of 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide (CID 119283103) is 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide.
What is the SMILES notation for 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide?
The canonical SMILES for 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCCN.
What is the InChIKey of 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide?
The InChIKey is JLVTVHTVXANKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-12-14(18(23)20-15-6-3-2-4-7-15)9-10-16(13)21-17(22)8-5-11-19/h9-10,12,15H,2-8,11,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide?
4-(4-aminobutanoylamino)-N-cyclohexyl-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-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide is sourced from PubChem (CID 119283103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).