N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide

C24H23NO2 — CID 97082587

IUPACN-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
SMILESO=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H23NO2/c26-24(17-23-21-12-6-4-10-19(21)14-15-27-23)25-22-13-7-5-11-20(22)16-18-8-2-1-3-9-18/h1-13,23H,14-17H2,(H,25,26)/t23-/m0/s1
InChIKeyQDPQWVMFNKPLIF-QHCPKHFHSA-N
MW357.45 g/mol
LogP4.92
Rot. Bonds5

About N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide

N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide (PubChem CID 97082587) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
PubChem CID97082587
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
SMILESO=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H23NO2/c26-24(17-23-21-12-6-4-10-19(21)14-15-27-23)25-22-13-7-5-11-20(22)16-18-8-2-1-3-9-18/h1-13,23H,14-17H2,(H,25,26)/t23-/m0/s1
InChIKeyQDPQWVMFNKPLIF-QHCPKHFHSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 124563133
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
N-(2-benzylphenyl)-2-morpholin-2-ylacetamide
CID 119675738
5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
methyl 4-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-3-hydroxybenzoate
CID 75392069
1-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 100613872
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-cyclopropyl-2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]acetic acid
CID 119213291
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 97082428
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199061

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide (CID 97082587) is N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide is O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The InChIKey is QDPQWVMFNKPLIF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO2/c26-24(17-23-21-12-6-4-10-19(21)14-15-27-23)25-22-13-7-5-11-20(22)16-18-8-2-1-3-9-18/h1-13,23H,14-17H2,(H,25,26)/t23-/m0/s1.
What are the key properties of N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide is sourced from PubChem (CID 97082587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).