N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide

C21H28N2O3 — CID 120648289

IUPACN-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N(CCCN)Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-25-19-13-18(14-20(15-19)26-2)9-10-21(24)23(12-6-11-22)16-17-7-4-3-5-8-17/h3-5,7-8,13-15H,6,9-12,16,22H2,1-2H3
InChIKeyWTYFYWZDQARRTO-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.01
Rot. Bonds10

About N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide

N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 120648289) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID120648289
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N(CCCN)Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-25-19-13-18(14-20(15-19)26-2)9-10-21(24)23(12-6-11-22)16-17-7-4-3-5-8-17/h3-5,7-8,13-15H,6,9-12,16,22H2,1-2H3
InChIKeyWTYFYWZDQARRTO-UHFFFAOYSA-N
XLogP3.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide 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-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide
CID 10293116
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide (CID 120648289) is N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(CCC(=O)N(CCCN)Cc2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is WTYFYWZDQARRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-19-13-18(14-20(15-19)26-2)9-10-21(24)23(12-6-11-22)16-17-7-4-3-5-8-17/h3-5,7-8,13-15H,6,9-12,16,22H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide?
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 120648289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).