2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide

C17H20N2O2 — CID 81368463

IUPAC2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
SMILESCOc1ccc([C@H](C)NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(14-8-10-16(21-2)11-9-14)18-12-17(20)19-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyADCCVVLDOYHCER-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds6

About 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide

2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide (PubChem CID 81368463) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
PubChem CID81368463
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
SMILESCOc1ccc([C@H](C)NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(14-8-10-16(21-2)11-9-14)18-12-17(20)19-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyADCCVVLDOYHCER-ZDUSSCGKSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54815005
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide (CID 81368463) is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide is COc1ccc([C@H](C)NCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide?
The InChIKey is ADCCVVLDOYHCER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(14-8-10-16(21-2)11-9-14)18-12-17(20)19-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide?
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 81368463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).