4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

C19H23N3O2 — CID 119278741

IUPAC4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)11-18(23)21-16-7-9-17(10-8-16)22-19(24)15-5-3-14(12-20)4-6-15/h3-10,13H,11-12,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGTQOCXLUUKHCDW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds6

About 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide (PubChem CID 119278741) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
PubChem CID119278741
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)11-18(23)21-16-7-9-17(10-8-16)22-19(24)15-5-3-14(12-20)4-6-15/h3-10,13H,11-12,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGTQOCXLUUKHCDW-UHFFFAOYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide (CID 119278741) is 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The InChIKey is GTQOCXLUUKHCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)11-18(23)21-16-7-9-17(10-8-16)22-19(24)15-5-3-14(12-20)4-6-15/h3-10,13H,11-12,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide is sourced from PubChem (CID 119278741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).