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

C22H29NO6 — CID 55595817

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H29NO6/c1-14(16-8-9-17(25-2)18(13-16)26-3)23-21(24)10-7-15-11-19(27-4)22(29-6)20(12-15)28-5/h8-9,11-14H,7,10H2,1-6H3,(H,23,24)
InChIKeyDUVPPDIXKUBDPG-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.54
Rot. Bonds10

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55595817) has the molecular formula C22H29NO6 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55595817
Molecular FormulaC22H29NO6
Molecular Weight403.48 g/mol
Exact Mass403.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H29NO6/c1-14(16-8-9-17(25-2)18(13-16)26-3)23-21(24)10-7-15-11-19(27-4)22(29-6)20(12-15)28-5/h8-9,11-14H,7,10H2,1-6H3,(H,23,24)
InChIKeyDUVPPDIXKUBDPG-UHFFFAOYSA-N
XLogP3.54
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
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
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 47055582
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55595817) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1ccc(C(C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is DUVPPDIXKUBDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6/c1-14(16-8-9-17(25-2)18(13-16)26-3)23-21(24)10-7-15-11-19(27-4)22(29-6)20(12-15)28-5/h8-9,11-14H,7,10H2,1-6H3,(H,23,24).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55595817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).