N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C23H31NO4 — CID 7719229

IUPACN-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H31NO4/c1-15(2)11-17-7-9-19(10-8-17)16(3)24-22(25)14-18-12-20(26-4)23(28-6)21(13-18)27-5/h7-10,12-13,15-16H,11,14H2,1-6H3,(H,24,25)/t16-/m0/s1
InChIKeyDKTSAUQPRQMGQW-INIZCTEOSA-N
MW385.50 g/mol
LogP4.33
Rot. Bonds9

About N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 7719229) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID7719229
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H31NO4/c1-15(2)11-17-7-9-19(10-8-17)16(3)24-22(25)14-18-12-20(26-4)23(28-6)21(13-18)27-5/h7-10,12-13,15-16H,11,14H2,1-6H3,(H,24,25)/t16-/m0/s1
InChIKeyDKTSAUQPRQMGQW-INIZCTEOSA-N
XLogP4.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide 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-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719228
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7767019
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 7719229) is N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is DKTSAUQPRQMGQW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H31NO4/c1-15(2)11-17-7-9-19(10-8-17)16(3)24-22(25)14-18-12-20(26-4)23(28-6)21(13-18)27-5/h7-10,12-13,15-16H,11,14H2,1-6H3,(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 385.50 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 7719229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).