2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

C25H30N2O3 — CID 8680646

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)N[C@H](C)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C25H30N2O3/c1-17-13-23(29-4)24(30-5)14-20(17)15-27(3)16-25(28)26-18(2)21-12-8-10-19-9-6-7-11-22(19)21/h6-14,18H,15-16H2,1-5H3,(H,26,28)/t18-/m1/s1
InChIKeyPKNUKXPMIVFQQG-GOSISDBHSA-N
MW406.53 g/mol
LogP4.47
Rot. Bonds8

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 8680646) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
PubChem CID8680646
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)N[C@H](C)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C25H30N2O3/c1-17-13-23(29-4)24(30-5)14-20(17)15-27(3)16-25(28)26-18(2)21-12-8-10-19-9-6-7-11-22(19)21/h6-14,18H,15-16H2,1-5H3,(H,26,28)/t18-/m1/s1
InChIKeyPKNUKXPMIVFQQG-GOSISDBHSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8789532
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 8680286
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8786713
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454
N-[1-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylpropanamide
CID 133184843
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (CID 8680646) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is COc1cc(C)c(CN(C)CC(=O)N[C@H](C)c2cccc3ccccc23)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The InChIKey is PKNUKXPMIVFQQG-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17-13-23(29-4)24(30-5)14-20(17)15-27(3)16-25(28)26-18(2)21-12-8-10-19-9-6-7-11-22(19)21/h6-14,18H,15-16H2,1-5H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 8680646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).