2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

C20H24N2O3 — CID 108541769

IUPAC2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-16-8-5-6-11-18(16)20(24)22-14-13-21-19(23)12-7-15-25-17-9-3-2-4-10-17/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyYZCZQZIGIZNNDS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.70
Rot. Bonds9

About 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (PubChem CID 108541769) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
PubChem CID108541769
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-16-8-5-6-11-18(16)20(24)22-14-13-21-19(23)12-7-15-25-17-9-3-2-4-10-17/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyYZCZQZIGIZNNDS-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.70
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-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541808
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (CID 108541769) is 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is Cc1ccccc1C(=O)NCCNC(=O)CCCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The InChIKey is YZCZQZIGIZNNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16-8-5-6-11-18(16)20(24)22-14-13-21-19(23)12-7-15-25-17-9-3-2-4-10-17/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is sourced from PubChem (CID 108541769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).