N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide

C27H29NO4 — CID 2920302

IUPACN-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
SMILESCCC(=O)N(CCC(c1ccc2c(c1)OCO2)c1ccccc1OC)Cc1ccccc1
InChIInChI=1S/C27H29NO4/c1-3-27(29)28(18-20-9-5-4-6-10-20)16-15-22(23-11-7-8-12-24(23)30-2)21-13-14-25-26(17-21)32-19-31-25/h4-14,17,22H,3,15-16,18-19H2,1-2H3
InChIKeySRADCMOCDMFMPS-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.38
Rot. Bonds9

About N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide

N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide (PubChem CID 2920302) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
PubChem CID2920302
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
SMILESCCC(=O)N(CCC(c1ccc2c(c1)OCO2)c1ccccc1OC)Cc1ccccc1
InChIInChI=1S/C27H29NO4/c1-3-27(29)28(18-20-9-5-4-6-10-20)16-15-22(23-11-7-8-12-24(23)30-2)21-13-14-25-26(17-21)32-19-31-25/h4-14,17,22H,3,15-16,18-19H2,1-2H3
InChIKeySRADCMOCDMFMPS-UHFFFAOYSA-N
XLogP5.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide 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

[2-[[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-benzylamino]-2-oxoethyl] acetate;ethane
CID 156718884
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 2920636
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 1071993
5-[(1S)-1-(2-methoxyphenyl)-5-phenylpentyl]-1,3-benzodioxole
CID 167679878
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 2922076
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[[4-[2-(3-but-3-ynyldiazirin-3-yl)ethylamino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 166025943
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
4-[[[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
CID 3792586
3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]propan-1-amine;hydrochloride
CID 126477757
N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]acetamide
CID 3149170
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide (CID 2920302) is N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide is CCC(=O)N(CCC(c1ccc2c(c1)OCO2)c1ccccc1OC)Cc1ccccc1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide?
The InChIKey is SRADCMOCDMFMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-3-27(29)28(18-20-9-5-4-6-10-20)16-15-22(23-11-7-8-12-24(23)30-2)21-13-14-25-26(17-21)32-19-31-25/h4-14,17,22H,3,15-16,18-19H2,1-2H3.
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide?
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide has a molecular weight of 431.53 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide is sourced from PubChem (CID 2920302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).