2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

C23H25FN2O2 — CID 9113157

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1F
InChIInChI=1S/C23H25FN2O2/c1-16(19-10-9-18-6-4-5-7-20(18)13-19)25-23(27)15-26(2)14-17-8-11-22(28-3)21(24)12-17/h4-13,16H,14-15H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyRCOYXTTWNSBEKX-INIZCTEOSA-N
MW380.46 g/mol
LogP4.30
Rot. Bonds7

About 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (PubChem CID 9113157) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
PubChem CID9113157
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1F
InChIInChI=1S/C23H25FN2O2/c1-16(19-10-9-18-6-4-5-7-20(18)13-19)25-23(27)15-26(2)14-17-8-11-22(28-3)21(24)12-17/h4-13,16H,14-15H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyRCOYXTTWNSBEKX-INIZCTEOSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55558193
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55824439
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 18196329

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (CID 9113157) is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is COc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The InChIKey is RCOYXTTWNSBEKX-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16(19-10-9-18-6-4-5-7-20(18)13-19)25-23(27)15-26(2)14-17-8-11-22(28-3)21(24)12-17/h4-13,16H,14-15H2,1-3H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide has a molecular weight of 380.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 9113157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).