2-amino-N-benzyl-5-methoxypentanamide

C13H20N2O2 — CID 81081027

IUPAC2-amino-N-benzyl-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-17-9-5-8-12(14)13(16)15-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyWFQYFLWIRIVCSR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-N-benzyl-5-methoxypentanamide

2-amino-N-benzyl-5-methoxypentanamide (PubChem CID 81081027) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-benzyl-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-5-methoxypentanamide
PubChem CID81081027
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-benzyl-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-17-9-5-8-12(14)13(16)15-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyWFQYFLWIRIVCSR-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
2-amino-N-benzylpentanamide
CID 11020044
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-5-methoxypentanamide?
The IUPAC name of 2-amino-N-benzyl-5-methoxypentanamide (CID 81081027) is 2-amino-N-benzyl-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-benzyl-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-benzyl-5-methoxypentanamide is COCCCC(N)C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-5-methoxypentanamide?
The InChIKey is WFQYFLWIRIVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-9-5-8-12(14)13(16)15-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-benzyl-5-methoxypentanamide?
2-amino-N-benzyl-5-methoxypentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-5-methoxypentanamide is sourced from PubChem (CID 81081027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).