N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide

C19H20N2O3 — CID 95146524

IUPACN-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N[C@H]1CCc2c(O)cccc21
InChIInChI=1S/C19H20N2O3/c22-17-8-4-7-14-15(17)9-10-16(14)21-19(24)12-20-18(23)11-13-5-2-1-3-6-13/h1-8,16,22H,9-12H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyCMYVXCIBKFIQPI-INIZCTEOSA-N
MW324.38 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 95146524) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID95146524
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N[C@H]1CCc2c(O)cccc21
InChIInChI=1S/C19H20N2O3/c22-17-8-4-7-14-15(17)9-10-16(14)21-19(24)12-20-18(23)11-13-5-2-1-3-6-13/h1-8,16,22H,9-12H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyCMYVXCIBKFIQPI-INIZCTEOSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
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CID 51160966
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
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CID 95630466
N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
CID 99795342
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 95626540
5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
CID 95769418
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119474993

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide (CID 95146524) is N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)N[C@H]1CCc2c(O)cccc21.
What is the InChIKey of N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is CMYVXCIBKFIQPI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17-8-4-7-14-15(17)9-10-16(14)21-19(24)12-20-18(23)11-13-5-2-1-3-6-13/h1-8,16,22H,9-12H2,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 324.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 95146524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).