5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide

C17H28N2O — CID 66259950

IUPAC5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide
SMILESCCC(C)(C)c1ccc(C(N)CC(C)CC(N)=O)cc1
InChIInChI=1S/C17H28N2O/c1-5-17(3,4)14-8-6-13(7-9-14)15(18)10-12(2)11-16(19)20/h6-9,12,15H,5,10-11,18H2,1-4H3,(H2,19,20)
InChIKeyUWRBJBFZHOFBLK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.28
Rot. Bonds7

About 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide

5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide (PubChem CID 66259950) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide
PubChem CID66259950
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide
SMILESCCC(C)(C)c1ccc(C(N)CC(C)CC(N)=O)cc1
InChIInChI=1S/C17H28N2O/c1-5-17(3,4)14-8-6-13(7-9-14)15(18)10-12(2)11-16(19)20/h6-9,12,15H,5,10-11,18H2,1-4H3,(H2,19,20)
InChIKeyUWRBJBFZHOFBLK-UHFFFAOYSA-N
XLogP3.28
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
5-amino-5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methylpentanamide
CID 62941476
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
CID 62933997
5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide
CID 62933991
5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
CID 62941286
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide?
The IUPAC name of 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide (CID 66259950) is 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide?
The canonical SMILES for 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide is CCC(C)(C)c1ccc(C(N)CC(C)CC(N)=O)cc1.
What is the InChIKey of 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide?
The InChIKey is UWRBJBFZHOFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(3,4)14-8-6-13(7-9-14)15(18)10-12(2)11-16(19)20/h6-9,12,15H,5,10-11,18H2,1-4H3,(H2,19,20).
What are the key properties of 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide?
5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide is sourced from PubChem (CID 66259950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).