2-amino-N-benzylpentanamide

C12H18N2O — CID 11020044

IUPAC2-amino-N-benzylpentanamide
SMILESCCCC(N)C(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-6-11(13)12(15)14-9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9,13H2,1H3,(H,14,15)
InChIKeyUOSIRFSGVMTCIY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-N-benzylpentanamide

2-amino-N-benzylpentanamide (PubChem CID 11020044) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-N-benzylpentanamide.

Molecular Properties

Compound Name2-amino-N-benzylpentanamide
PubChem CID11020044
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-N-benzylpentanamide
SMILESCCCC(N)C(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-6-11(13)12(15)14-9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9,13H2,1H3,(H,14,15)
InChIKeyUOSIRFSGVMTCIY-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880
N-benzyl-2-hydroxypentanamide
CID 141058656
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
CID 3942749

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzylpentanamide?
The IUPAC name of 2-amino-N-benzylpentanamide (CID 11020044) is 2-amino-N-benzylpentanamide.
What is the SMILES notation for 2-amino-N-benzylpentanamide?
The canonical SMILES for 2-amino-N-benzylpentanamide is CCCC(N)C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzylpentanamide?
The InChIKey is UOSIRFSGVMTCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-6-11(13)12(15)14-9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-benzylpentanamide?
2-amino-N-benzylpentanamide has a molecular weight of 206.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzylpentanamide is sourced from PubChem (CID 11020044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).