2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide

C15H22N4O3 — CID 119956305

IUPAC2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)19-13(21)9-4-6-10(7-5-9)18-14(22)11(16)8-12(17)20/h4-7,11H,8,16H2,1-3H3,(H2,17,20)(H,18,22)(H,19,21)
InChIKeyHLUTZPJCORNIIB-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.36
Rot. Bonds5

About 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide

2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide (PubChem CID 119956305) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
PubChem CID119956305
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)19-13(21)9-4-6-10(7-5-9)18-14(22)11(16)8-12(17)20/h4-7,11H,8,16H2,1-3H3,(H2,17,20)(H,18,22)(H,19,21)
InChIKeyHLUTZPJCORNIIB-UHFFFAOYSA-N
XLogP0.36
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
CID 62639345
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
CID 47072533
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
CID 119703080
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
CID 119712954
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide (CID 119956305) is 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide is CC(C)(C)NC(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1.
What is the InChIKey of 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide?
The InChIKey is HLUTZPJCORNIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)19-13(21)9-4-6-10(7-5-9)18-14(22)11(16)8-12(17)20/h4-7,11H,8,16H2,1-3H3,(H2,17,20)(H,18,22)(H,19,21).
What are the key properties of 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide?
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide has a molecular weight of 306.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide is sourced from PubChem (CID 119956305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).