N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide

C17H28N2O3 — CID 22954106

IUPACN-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(CCN(CCCN)C(=O)C(C)C)cc1OC
InChIInChI=1S/C17H28N2O3/c1-13(2)17(20)19(10-5-9-18)11-8-14-6-7-15(21-3)16(12-14)22-4/h6-7,12-13H,5,8-11,18H2,1-4H3
InChIKeyWXRVBGIBWDDRFK-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.08
Rot. Bonds9

About N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide

N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 22954106) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID22954106
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(CCN(CCCN)C(=O)C(C)C)cc1OC
InChIInChI=1S/C17H28N2O3/c1-13(2)17(20)19(10-5-9-18)11-8-14-6-7-15(21-3)16(12-14)22-4/h6-7,12-13H,5,8-11,18H2,1-4H3
InChIKeyWXRVBGIBWDDRFK-UHFFFAOYSA-N
XLogP2.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide 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

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 43136651
N-(3-aminopropyl)-N-[3-[3-[3-aminopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 145301444
2-(3,4-dimethoxyphenyl)ethyl N-(3-aminopropyl)-N-tert-butylcarbamate
CID 91263870
2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
N-(4-aminobutyl)-N-[3-[3-[4-aminobutyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 146199362
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
CID 119790269
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide (CID 22954106) is N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide is COc1ccc(CCN(CCCN)C(=O)C(C)C)cc1OC.
What is the InChIKey of N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is WXRVBGIBWDDRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(2)17(20)19(10-5-9-18)11-8-14-6-7-15(21-3)16(12-14)22-4/h6-7,12-13H,5,8-11,18H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 308.42 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 22954106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).