4-[(4-phenoxybutanoylamino)methyl]benzamide

C18H20N2O3 — CID 51152240

IUPAC4-[(4-phenoxybutanoylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c19-18(22)15-10-8-14(9-11-15)13-20-17(21)7-4-12-23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,22)(H,20,21)
InChIKeyYTEVDZXNMDKXTN-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds8

About 4-[(4-phenoxybutanoylamino)methyl]benzamide

4-[(4-phenoxybutanoylamino)methyl]benzamide (PubChem CID 51152240) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(4-phenoxybutanoylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-phenoxybutanoylamino)methyl]benzamide
PubChem CID51152240
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[(4-phenoxybutanoylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c19-18(22)15-10-8-14(9-11-15)13-20-17(21)7-4-12-23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,22)(H,20,21)
InChIKeyYTEVDZXNMDKXTN-UHFFFAOYSA-N
XLogP2.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
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

N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185613
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
4-[[4-(4-methylsulfonylphenoxy)butanoylamino]methyl]benzoic acid
CID 119165399
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 32854703

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenoxybutanoylamino)methyl]benzamide?
The IUPAC name of 4-[(4-phenoxybutanoylamino)methyl]benzamide (CID 51152240) is 4-[(4-phenoxybutanoylamino)methyl]benzamide.
What is the SMILES notation for 4-[(4-phenoxybutanoylamino)methyl]benzamide?
The canonical SMILES for 4-[(4-phenoxybutanoylamino)methyl]benzamide is NC(=O)c1ccc(CNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-[(4-phenoxybutanoylamino)methyl]benzamide?
The InChIKey is YTEVDZXNMDKXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-18(22)15-10-8-14(9-11-15)13-20-17(21)7-4-12-23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,22)(H,20,21).
What are the key properties of 4-[(4-phenoxybutanoylamino)methyl]benzamide?
4-[(4-phenoxybutanoylamino)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenoxybutanoylamino)methyl]benzamide is sourced from PubChem (CID 51152240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).