2-amino-N-(4-butylphenyl)-2-methylpentanamide

C16H26N2O — CID 54928789

IUPAC2-amino-N-(4-butylphenyl)-2-methylpentanamide
SMILESCCCCc1ccc(NC(=O)C(C)(N)CCC)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-13-8-10-14(11-9-13)18-15(19)16(3,17)12-5-2/h8-11H,4-7,12,17H2,1-3H3,(H,18,19)
InChIKeyHRYGTPHOVDTTHR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.49
Rot. Bonds7

About 2-amino-N-(4-butylphenyl)-2-methylpentanamide

2-amino-N-(4-butylphenyl)-2-methylpentanamide (PubChem CID 54928789) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-(4-butylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-butylphenyl)-2-methylpentanamide
PubChem CID54928789
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-(4-butylphenyl)-2-methylpentanamide
SMILESCCCCc1ccc(NC(=O)C(C)(N)CCC)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-13-8-10-14(11-9-13)18-15(19)16(3,17)12-5-2/h8-11H,4-7,12,17H2,1-3H3,(H,18,19)
InChIKeyHRYGTPHOVDTTHR-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-butylphenyl)-2-methylpentanamide (CID 54928789) is 2-amino-N-(4-butylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-butylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-butylphenyl)-2-methylpentanamide is CCCCc1ccc(NC(=O)C(C)(N)CCC)cc1.
What is the InChIKey of 2-amino-N-(4-butylphenyl)-2-methylpentanamide?
The InChIKey is HRYGTPHOVDTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-7-13-8-10-14(11-9-13)18-15(19)16(3,17)12-5-2/h8-11H,4-7,12,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(4-butylphenyl)-2-methylpentanamide?
2-amino-N-(4-butylphenyl)-2-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butylphenyl)-2-methylpentanamide is sourced from PubChem (CID 54928789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).