N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C23H30N2O4 — CID 78771810

IUPACN-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1OCC
InChIInChI=1S/C23H30N2O4/c1-6-28-20-12-11-18(14-21(20)29-7-2)16(4)24-22(26)17(5)25-23(27)19-10-8-9-15(3)13-19/h8-14,16-17H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyZVMFIPJGDYRCPV-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.79
Rot. Bonds9

About N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 78771810) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID78771810
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1OCC
InChIInChI=1S/C23H30N2O4/c1-6-28-20-12-11-18(14-21(20)29-7-2)16(4)24-22(26)17(5)25-23(27)19-10-8-9-15(3)13-19/h8-14,16-17H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyZVMFIPJGDYRCPV-UHFFFAOYSA-N
XLogP3.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 43011675
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 86995853

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 78771810) is N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is CCOc1ccc(C(C)NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1OCC.
What is the InChIKey of N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is ZVMFIPJGDYRCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-6-28-20-12-11-18(14-21(20)29-7-2)16(4)24-22(26)17(5)25-23(27)19-10-8-9-15(3)13-19/h8-14,16-17H,6-7H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 78771810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).