N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide

C17H27NO3 — CID 78771296

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H27NO3/c1-5-8-9-17(19)18-13(4)14-10-11-15(20-6-2)16(12-14)21-7-3/h10-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyAMOJRBBWTLXYFX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.85
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide

N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide (PubChem CID 78771296) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
PubChem CID78771296
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H27NO3/c1-5-8-9-17(19)18-13(4)14-10-11-15(20-6-2)16(12-14)21-7-3/h10-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyAMOJRBBWTLXYFX-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55787245
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9092058

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide (CID 78771296) is N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide is CCCCC(=O)NC(C)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide?
The InChIKey is AMOJRBBWTLXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-8-9-17(19)18-13(4)14-10-11-15(20-6-2)16(12-14)21-7-3/h10-13H,5-9H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide?
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide has a molecular weight of 293.41 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 78771296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).