2-amino-N-benzyl-N-(2-phenylethyl)pentanamide

C20H26N2O — CID 119264050

IUPAC2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-9-19(21)20(23)22(16-18-12-7-4-8-13-18)15-14-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16,21H2,1H3
InChIKeyPOJCLZLCAROLPP-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.39
Rot. Bonds8

About 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide

2-amino-N-benzyl-N-(2-phenylethyl)pentanamide (PubChem CID 119264050) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
PubChem CID119264050
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-9-19(21)20(23)22(16-18-12-7-4-8-13-18)15-14-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16,21H2,1H3
InChIKeyPOJCLZLCAROLPP-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
CID 175596193
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227
(2S)-2-amino-N-benzyl-N-(cyanomethyl)hexanamide
CID 93469866
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide?
The IUPAC name of 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide (CID 119264050) is 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide?
The canonical SMILES for 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide is CCCC(N)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide?
The InChIKey is POJCLZLCAROLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-9-19(21)20(23)22(16-18-12-7-4-8-13-18)15-14-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16,21H2,1H3.
What are the key properties of 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide?
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide has a molecular weight of 310.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 119264050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).