3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide

C15H23N3O2 — CID 119713096

IUPAC3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(20)9-12-4-6-13(7-5-12)18-14(19)8-11(3)16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVJBBAJAIDBUMLY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds6

About 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide

3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide (PubChem CID 119713096) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
PubChem CID119713096
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(20)9-12-4-6-13(7-5-12)18-14(19)8-11(3)16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVJBBAJAIDBUMLY-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
CID 120873362
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide (CID 119713096) is 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide is CC(N)CC(=O)Nc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide?
The InChIKey is VJBBAJAIDBUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)17-15(20)9-12-4-6-13(7-5-12)18-14(19)8-11(3)16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide?
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 119713096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).