N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide

C23H31NO4 — CID 46649897

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1OCC
InChIInChI=1S/C23H31NO4/c1-6-27-20-13-10-18(15-21(20)28-7-2)23(16(3)4)24-22(25)14-17-8-11-19(26-5)12-9-17/h8-13,15-16,23H,6-7,14H2,1-5H3,(H,24,25)
InChIKeyNCVRFRCEDQRAOL-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.55
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 46649897) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
PubChem CID46649897
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1OCC
InChIInChI=1S/C23H31NO4/c1-6-27-20-13-10-18(15-21(20)28-7-2)23(16(3)4)24-22(25)14-17-8-11-19(26-5)12-9-17/h8-13,15-16,23H,6-7,14H2,1-5H3,(H,24,25)
InChIKeyNCVRFRCEDQRAOL-UHFFFAOYSA-N
XLogP4.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46649834
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 120608398
2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]acetamide
CID 136773107
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
CID 46649966
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide (CID 46649897) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide is CCOc1ccc(C(NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NCVRFRCEDQRAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-6-27-20-13-10-18(15-21(20)28-7-2)23(16(3)4)24-22(25)14-17-8-11-19(26-5)12-9-17/h8-13,15-16,23H,6-7,14H2,1-5H3,(H,24,25).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 385.50 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).