2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C23H32N2O2 — CID 8992802

IUPAC2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)NCCc2ccccc2OC)C(C)C)cc1
InChIInChI=1S/C23H32N2O2/c1-5-18-10-12-20(13-11-18)23(17(2)3)25-16-22(26)24-15-14-19-8-6-7-9-21(19)27-4/h6-13,17,23,25H,5,14-16H2,1-4H3,(H,24,26)/t23-/m0/s1
InChIKeyBZXJLQYUXHFITO-QHCPKHFHSA-N
MW368.52 g/mol
LogP3.90
Rot. Bonds10

About 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 8992802) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID8992802
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)NCCc2ccccc2OC)C(C)C)cc1
InChIInChI=1S/C23H32N2O2/c1-5-18-10-12-20(13-11-18)23(17(2)3)25-16-22(26)24-15-14-19-8-6-7-9-21(19)27-4/h6-13,17,23,25H,5,14-16H2,1-4H3,(H,24,26)/t23-/m0/s1
InChIKeyBZXJLQYUXHFITO-QHCPKHFHSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134154
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8756444
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 8992802) is 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is CCc1ccc([C@@H](NCC(=O)NCCc2ccccc2OC)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is BZXJLQYUXHFITO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-5-18-10-12-20(13-11-18)23(17(2)3)25-16-22(26)24-15-14-19-8-6-7-9-21(19)27-4/h6-13,17,23,25H,5,14-16H2,1-4H3,(H,24,26)/t23-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 368.52 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8992802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).