N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide

C18H21N3O2 — CID 39192976

IUPACN-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)CCCN)cc1
InChIInChI=1S/C18H21N3O2/c1-13-8-10-14(11-9-13)18(23)21-16-6-3-2-5-15(16)20-17(22)7-4-12-19/h2-3,5-6,8-11H,4,7,12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyUMGZGNFCLICDDL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide

N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide (PubChem CID 39192976) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
PubChem CID39192976
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)CCCN)cc1
InChIInChI=1S/C18H21N3O2/c1-13-8-10-14(11-9-13)18(23)21-16-6-3-2-5-15(16)20-17(22)7-4-12-19/h2-3,5-6,8-11H,4,7,12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyUMGZGNFCLICDDL-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 ≤ 500311.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide (CID 39192976) is N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2NC(=O)CCCN)cc1.
What is the InChIKey of N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide?
The InChIKey is UMGZGNFCLICDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-8-10-14(11-9-13)18(23)21-16-6-3-2-5-15(16)20-17(22)7-4-12-19/h2-3,5-6,8-11H,4,7,12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide?
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide has a molecular weight of 311.39 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-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 39192976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).