4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide

C14H21N3O2 — CID 119332645

IUPAC4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)CCCN)ccc1C(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10-9-11(16-13(18)5-4-8-15)6-7-12(10)14(19)17(2)3/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyBFHOOYYISRWGRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds5

About 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide

4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide (PubChem CID 119332645) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
PubChem CID119332645
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)CCCN)ccc1C(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10-9-11(16-13(18)5-4-8-15)6-7-12(10)14(19)17(2)3/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyBFHOOYYISRWGRO-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide
CID 71975441
5-[4-(dimethylcarbamoyl)-3-methylanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137875
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide?
The IUPAC name of 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide (CID 119332645) is 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide is Cc1cc(NC(=O)CCCN)ccc1C(=O)N(C)C.
What is the InChIKey of 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide?
The InChIKey is BFHOOYYISRWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-11(16-13(18)5-4-8-15)6-7-12(10)14(19)17(2)3/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide?
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide is sourced from PubChem (CID 119332645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).