N-benzyl-4-phenylmethoxybutanamide

C18H21NO2 — CID 15396752

IUPACN-benzyl-4-phenylmethoxybutanamide
SMILESO=C(CCCOCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18(19-14-16-8-3-1-4-9-16)12-7-13-21-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,19,20)
InChIKeyHIGXYHJKPKXWHM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.30
Rot. Bonds8

About N-benzyl-4-phenylmethoxybutanamide

N-benzyl-4-phenylmethoxybutanamide (PubChem CID 15396752) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-benzyl-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-benzyl-4-phenylmethoxybutanamide
PubChem CID15396752
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-benzyl-4-phenylmethoxybutanamide
SMILESO=C(CCCOCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18(19-14-16-8-3-1-4-9-16)12-7-13-21-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,19,20)
InChIKeyHIGXYHJKPKXWHM-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-5-phenylmethoxypentanal
CID 166844444
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide
CID 126818822
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenylmethoxybutanamide?
The IUPAC name of N-benzyl-4-phenylmethoxybutanamide (CID 15396752) is N-benzyl-4-phenylmethoxybutanamide.
What is the SMILES notation for N-benzyl-4-phenylmethoxybutanamide?
The canonical SMILES for N-benzyl-4-phenylmethoxybutanamide is O=C(CCCOCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-phenylmethoxybutanamide?
The InChIKey is HIGXYHJKPKXWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(19-14-16-8-3-1-4-9-16)12-7-13-21-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,19,20).
What are the key properties of N-benzyl-4-phenylmethoxybutanamide?
N-benzyl-4-phenylmethoxybutanamide has a molecular weight of 283.37 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenylmethoxybutanamide is sourced from PubChem (CID 15396752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).