4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide

C15H23N3O2 — CID 119300432

IUPAC4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)CCCN
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(20)12-6-7-13(11(3)9-12)18-14(19)5-4-8-16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUEBCPXIEULJRNT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds6

About 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide

4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide (PubChem CID 119300432) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
PubChem CID119300432
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)CCCN
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(20)12-6-7-13(11(3)9-12)18-14(19)5-4-8-16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUEBCPXIEULJRNT-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 86821541
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide (CID 119300432) is 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CCCN.
What is the InChIKey of 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is UEBCPXIEULJRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)17-15(20)12-6-7-13(11(3)9-12)18-14(19)5-4-8-16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide?
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 119300432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).