2-amino-N-butyl-N-(1-phenylethyl)pentanamide

C17H28N2O — CID 119331563

IUPAC2-amino-N-butyl-N-(1-phenylethyl)pentanamide
SMILESCCCCN(C(=O)C(N)CCC)C(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-6-13-19(17(20)16(18)10-5-2)14(3)15-11-8-7-9-12-15/h7-9,11-12,14,16H,4-6,10,13,18H2,1-3H3
InChIKeyPSHWLBBWQUAGJA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.50
Rot. Bonds8

About 2-amino-N-butyl-N-(1-phenylethyl)pentanamide

2-amino-N-butyl-N-(1-phenylethyl)pentanamide (PubChem CID 119331563) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(1-phenylethyl)pentanamide
PubChem CID119331563
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-N-butyl-N-(1-phenylethyl)pentanamide
SMILESCCCCN(C(=O)C(N)CCC)C(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-6-13-19(17(20)16(18)10-5-2)14(3)15-11-8-7-9-12-15/h7-9,11-12,14,16H,4-6,10,13,18H2,1-3H3
InChIKeyPSHWLBBWQUAGJA-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
1-phenylethyl(propyl)carbamic acid
CID 57360234
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-amino-3-phenylpropanoic acid;N,N-dibutylbutan-1-amine
CID 139484362
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(1-phenylethyl)pentanamide?
The IUPAC name of 2-amino-N-butyl-N-(1-phenylethyl)pentanamide (CID 119331563) is 2-amino-N-butyl-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for 2-amino-N-butyl-N-(1-phenylethyl)pentanamide?
The canonical SMILES for 2-amino-N-butyl-N-(1-phenylethyl)pentanamide is CCCCN(C(=O)C(N)CCC)C(C)c1ccccc1.
What is the InChIKey of 2-amino-N-butyl-N-(1-phenylethyl)pentanamide?
The InChIKey is PSHWLBBWQUAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-6-13-19(17(20)16(18)10-5-2)14(3)15-11-8-7-9-12-15/h7-9,11-12,14,16H,4-6,10,13,18H2,1-3H3.
What are the key properties of 2-amino-N-butyl-N-(1-phenylethyl)pentanamide?
2-amino-N-butyl-N-(1-phenylethyl)pentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 119331563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).