N-(2-aminobutyl)-3-methyl-2-phenylpentanamide

C16H26N2O — CID 63731148

IUPACN-(2-aminobutyl)-3-methyl-2-phenylpentanamide
SMILESCCC(N)CNC(=O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C16H26N2O/c1-4-12(3)15(13-9-7-6-8-10-13)16(19)18-11-14(17)5-2/h6-10,12,14-15H,4-5,11,17H2,1-3H3,(H,18,19)
InChIKeyZOCXHEVXLZXMSJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds7

About N-(2-aminobutyl)-3-methyl-2-phenylpentanamide

N-(2-aminobutyl)-3-methyl-2-phenylpentanamide (PubChem CID 63731148) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-aminobutyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-3-methyl-2-phenylpentanamide
PubChem CID63731148
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-aminobutyl)-3-methyl-2-phenylpentanamide
SMILESCCC(N)CNC(=O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C16H26N2O/c1-4-12(3)15(13-9-7-6-8-10-13)16(19)18-11-14(17)5-2/h6-10,12,14-15H,4-5,11,17H2,1-3H3,(H,18,19)
InChIKeyZOCXHEVXLZXMSJ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
phenyl N-(2-aminobutyl)carbamate
CID 63732215
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
CID 114310573
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
CID 115456296
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-(2-aminobutyl)-3-methyl-2-phenylpentanamide (CID 63731148) is N-(2-aminobutyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(2-aminobutyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-(2-aminobutyl)-3-methyl-2-phenylpentanamide is CCC(N)CNC(=O)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-(2-aminobutyl)-3-methyl-2-phenylpentanamide?
The InChIKey is ZOCXHEVXLZXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12(3)15(13-9-7-6-8-10-13)16(19)18-11-14(17)5-2/h6-10,12,14-15H,4-5,11,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-aminobutyl)-3-methyl-2-phenylpentanamide?
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 63731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).