2-(4-aminobutanoylamino)-N-tert-butylbenzamide

C15H23N3O2 — CID 119280575

IUPAC2-(4-aminobutanoylamino)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN
InChIInChI=1S/C15H23N3O2/c1-15(2,3)18-14(20)11-7-4-5-8-12(11)17-13(19)9-6-10-16/h4-5,7-8H,6,9-10,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFWOJGFFAZJMLST-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-aminobutanoylamino)-N-tert-butylbenzamide

2-(4-aminobutanoylamino)-N-tert-butylbenzamide (PubChem CID 119280575) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-N-tert-butylbenzamide
PubChem CID119280575
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-aminobutanoylamino)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN
InChIInChI=1S/C15H23N3O2/c1-15(2,3)18-14(20)11-7-4-5-8-12(11)17-13(19)9-6-10-16/h4-5,7-8H,6,9-10,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFWOJGFFAZJMLST-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079913
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-N-tert-butylbenzamide?
The IUPAC name of 2-(4-aminobutanoylamino)-N-tert-butylbenzamide (CID 119280575) is 2-(4-aminobutanoylamino)-N-tert-butylbenzamide.
What is the SMILES notation for 2-(4-aminobutanoylamino)-N-tert-butylbenzamide?
The canonical SMILES for 2-(4-aminobutanoylamino)-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN.
What is the InChIKey of 2-(4-aminobutanoylamino)-N-tert-butylbenzamide?
The InChIKey is FWOJGFFAZJMLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)18-14(20)11-7-4-5-8-12(11)17-13(19)9-6-10-16/h4-5,7-8H,6,9-10,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-(4-aminobutanoylamino)-N-tert-butylbenzamide?
2-(4-aminobutanoylamino)-N-tert-butylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-N-tert-butylbenzamide is sourced from PubChem (CID 119280575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).