2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

C17H26N2O4 — CID 78778592

IUPAC2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCNC(=O)C(C)NC(C)=O)cc1OCC
InChIInChI=1S/C17H26N2O4/c1-5-22-15-8-7-14(11-16(15)23-6-2)9-10-18-17(21)12(3)19-13(4)20/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZHFILSMTUVJKRH-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.67
Rot. Bonds9

About 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide (PubChem CID 78778592) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
PubChem CID78778592
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCNC(=O)C(C)NC(C)=O)cc1OCC
InChIInChI=1S/C17H26N2O4/c1-5-22-15-8-7-14(11-16(15)23-6-2)9-10-18-17(21)12(3)19-13(4)20/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZHFILSMTUVJKRH-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[1-[2-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55337522
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134060511
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 33239791
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide (CID 78778592) is 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide is CCOc1ccc(CCNC(=O)C(C)NC(C)=O)cc1OCC.
What is the InChIKey of 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The InChIKey is ZHFILSMTUVJKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-22-15-8-7-14(11-16(15)23-6-2)9-10-18-17(21)12(3)19-13(4)20/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 78778592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).