N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide

C22H26N2O3 — CID 71840874

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccc3c(ccn3C)c2)cc1OC
InChIInChI=1S/C22H26N2O3/c1-15(17-7-9-20(26-3)21(14-17)27-4)23-22(25)10-6-16-5-8-19-18(13-16)11-12-24(19)2/h5,7-9,11-15H,6,10H2,1-4H3,(H,23,25)
InChIKeyCQONJWPVISCGMS-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.01
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide (PubChem CID 71840874) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide
PubChem CID71840874
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccc3c(ccn3C)c2)cc1OC
InChIInChI=1S/C22H26N2O3/c1-15(17-7-9-20(26-3)21(14-17)27-4)23-22(25)10-6-16-5-8-19-18(13-16)11-12-24(19)2/h5,7-9,11-15H,6,10H2,1-4H3,(H,23,25)
InChIKeyCQONJWPVISCGMS-UHFFFAOYSA-N
XLogP4.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)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-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 47055582

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide (CID 71840874) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide is COc1ccc(C(C)NC(=O)CCc2ccc3c(ccn3C)c2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide?
The InChIKey is CQONJWPVISCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(17-7-9-20(26-3)21(14-17)27-4)23-22(25)10-6-16-5-8-19-18(13-16)11-12-24(19)2/h5,7-9,11-15H,6,10H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide is sourced from PubChem (CID 71840874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).