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

C18H29NO3 — CID 78778646

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C18H29NO3/c1-5-8-14(4)18(20)19-12-11-15-9-10-16(21-6-2)17(13-15)22-7-3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,19,20)
InChIKeyFYLSWGLXNNUCTR-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.58
Rot. Bonds10

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide (PubChem CID 78778646) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
PubChem CID78778646
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C18H29NO3/c1-5-8-14(4)18(20)19-12-11-15-9-10-16(21-6-2)17(13-15)22-7-3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,19,20)
InChIKeyFYLSWGLXNNUCTR-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
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
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134060511
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide (CID 78778646) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide is CCCC(C)C(=O)NCCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide?
The InChIKey is FYLSWGLXNNUCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-8-14(4)18(20)19-12-11-15-9-10-16(21-6-2)17(13-15)22-7-3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide has a molecular weight of 307.43 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 78778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).