N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C29H35NO6 — CID 165389446

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C29H35NO6/c1-20(23-10-8-7-9-11-23)30(15-14-21-12-13-24(32-2)25(16-21)33-3)28(31)19-22-17-26(34-4)29(36-6)27(18-22)35-5/h7-13,16-18,20H,14-15,19H2,1-6H3/t20-/m1/s1
InChIKeyAUNUCEYMORYYKS-HXUWFJFHSA-N
MW493.60 g/mol
LogP5.10
Rot. Bonds12

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 165389446) has the molecular formula C29H35NO6 and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID165389446
Molecular FormulaC29H35NO6
Molecular Weight493.60 g/mol
Exact Mass493.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C29H35NO6/c1-20(23-10-8-7-9-11-23)30(15-14-21-12-13-24(32-2)25(16-21)33-3)28(31)19-22-17-26(34-4)29(36-6)27(18-22)35-5/h7-13,16-18,20H,14-15,19H2,1-6H3/t20-/m1/s1
InChIKeyAUNUCEYMORYYKS-HXUWFJFHSA-N
XLogP5.10
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]acetamide
CID 101199845
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 120886021
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide
CID 5166106
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133236927
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
2-[benzenesulfonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid
CID 100592306

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 165389446) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1ccc(CCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)[C@H](C)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is AUNUCEYMORYYKS-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H35NO6/c1-20(23-10-8-7-9-11-23)30(15-14-21-12-13-24(32-2)25(16-21)33-3)28(31)19-22-17-26(34-4)29(36-6)27(18-22)35-5/h7-13,16-18,20H,14-15,19H2,1-6H3/t20-/m1/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 493.60 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 165389446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).