N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide

C18H21N3O2 — CID 39193375

IUPACN-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CCCN
InChIInChI=1S/C18H21N3O2/c1-13-9-10-15(12-16(13)21-17(22)8-5-11-19)20-18(23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyFJVZWIGLAIGIJB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.92
Rot. Bonds6

About N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide

N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide (PubChem CID 39193375) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
PubChem CID39193375
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CCCN
InChIInChI=1S/C18H21N3O2/c1-13-9-10-15(12-16(13)21-17(22)8-5-11-19)20-18(23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyFJVZWIGLAIGIJB-UHFFFAOYSA-N
XLogP2.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
CID 39193798
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide
CID 60517612
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
CID 39193137
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide (CID 39193375) is N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CCCN.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide?
The InChIKey is FJVZWIGLAIGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-9-10-15(12-16(13)21-17(22)8-5-11-19)20-18(23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide?
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide is sourced from PubChem (CID 39193375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).