N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide

C20H31NO3 — CID 75896022

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(c1ccc(OCC)c(OCC)c1)C(C)C
InChIInChI=1S/C20H31NO3/c1-7-10-15(6)20(22)21-19(14(4)5)16-11-12-17(23-8-2)18(13-16)24-9-3/h10-14,19H,7-9H2,1-6H3,(H,21,22)
InChIKeySIHWLRUOERWNJO-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.65
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide (PubChem CID 75896022) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
PubChem CID75896022
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(c1ccc(OCC)c(OCC)c1)C(C)C
InChIInChI=1S/C20H31NO3/c1-7-10-15(6)20(22)21-19(14(4)5)16-11-12-17(23-8-2)18(13-16)24-9-3/h10-14,19H,7-9H2,1-6H3,(H,21,22)
InChIKeySIHWLRUOERWNJO-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide 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

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
CID 58190079
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
CID 46649966
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
4-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672384
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036644
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51262709

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide (CID 75896022) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)NC(c1ccc(OCC)c(OCC)c1)C(C)C.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide?
The InChIKey is SIHWLRUOERWNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-7-10-15(6)20(22)21-19(14(4)5)16-11-12-17(23-8-2)18(13-16)24-9-3/h10-14,19H,7-9H2,1-6H3,(H,21,22).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide has a molecular weight of 333.47 g/mol, XLogP of 4.65, 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)-2-methylpropyl]-2-methylpent-2-enamide is sourced from PubChem (CID 75896022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).