N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide

C20H24N2O4 — CID 55585613

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(C)c2cccc(NC(C)=O)c2)ccc1OC
InChIInChI=1S/C20H24N2O4/c1-5-26-19-12-16(9-10-18(19)25-4)20(24)21-13(2)15-7-6-8-17(11-15)22-14(3)23/h6-13H,5H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyDMKXUAJQHBTHCW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.54
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide

N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 55585613) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
PubChem CID55585613
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(C)c2cccc(NC(C)=O)c2)ccc1OC
InChIInChI=1S/C20H24N2O4/c1-5-26-19-12-16(9-10-18(19)25-4)20(24)21-13(2)15-7-6-8-17(11-15)22-14(3)23/h6-13H,5H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyDMKXUAJQHBTHCW-UHFFFAOYSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[3-[1-[(2,5-diethoxyphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032890
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide (CID 55585613) is N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NC(C)c2cccc(NC(C)=O)c2)ccc1OC.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is DMKXUAJQHBTHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-26-19-12-16(9-10-18(19)25-4)20(24)21-13(2)15-7-6-8-17(11-15)22-14(3)23/h6-13H,5H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide?
N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 55585613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).