2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide

C19H21NO3 — CID 97086495

IUPAC2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@@H](C)CC(=O)c2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-14(11-18(21)16-8-4-3-5-9-16)20-19(22)13-15-7-6-10-17(12-15)23-2/h3-10,12,14H,11,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyLBMYPWUJXVPIOE-AWEZNQCLSA-N
MW311.38 g/mol
LogP3.02
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide

2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide (PubChem CID 97086495) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
PubChem CID97086495
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@@H](C)CC(=O)c2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-14(11-18(21)16-8-4-3-5-9-16)20-19(22)13-15-7-6-10-17(12-15)23-2/h3-10,12,14H,11,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyLBMYPWUJXVPIOE-AWEZNQCLSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide (CID 97086495) is 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide is COc1cccc(CC(=O)N[C@@H](C)CC(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide?
The InChIKey is LBMYPWUJXVPIOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(11-18(21)16-8-4-3-5-9-16)20-19(22)13-15-7-6-10-17(12-15)23-2/h3-10,12,14H,11,13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 97086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).