4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C19H22N2O3 — CID 27447007

IUPAC4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-6-18(13-14)24-12-11-21(3)19(23)16-7-9-17(10-8-16)20-15(2)22/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyLPHVGUSLHCUGAR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds6

About 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 27447007) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID27447007
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-6-18(13-14)24-12-11-21(3)19(23)16-7-9-17(10-8-16)20-15(2)22/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyLPHVGUSLHCUGAR-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
CID 119181815
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196123
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 27447007) is 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)N(C)CCOc2cccc(C)c2)cc1.
What is the InChIKey of 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is LPHVGUSLHCUGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-4-6-18(13-14)24-12-11-21(3)19(23)16-7-9-17(10-8-16)20-15(2)22/h4-10,13H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 27447007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).