N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide

C19H23NO2 — CID 110288608

IUPACN-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
SMILESCc1cccc(CCNC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-16-7-5-8-17(15-16)12-13-20-19(21)11-6-14-22-18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,21)
InChIKeyWRLMDKSLWBOIKG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.51
Rot. Bonds8

About N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide

N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide (PubChem CID 110288608) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
PubChem CID110288608
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
SMILESCc1cccc(CCNC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-16-7-5-8-17(15-16)12-13-20-19(21)11-6-14-22-18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,21)
InChIKeyWRLMDKSLWBOIKG-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.51
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

5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
2-[(3-methylphenyl)methyl]-3-(4-phenoxybutanoylamino)propanoic acid
CID 119243175
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 62936442
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide (CID 110288608) is N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide is Cc1cccc(CCNC(=O)CCCOc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide?
The InChIKey is WRLMDKSLWBOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-16-7-5-8-17(15-16)12-13-20-19(21)11-6-14-22-18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide?
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide has a molecular weight of 297.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110288608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).