N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide

C20H24N2O3 — CID 111333839

IUPACN-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C20H24N2O3/c1-2-25-18-11-7-6-10-17(18)21-20(24)19(15-8-4-3-5-9-15)22-13-12-16(23)14-22/h3-11,16,19,23H,2,12-14H2,1H3,(H,21,24)/t16-,19?/m0/s1
InChIKeyQRAOTJNMGPNOOD-UCFFOFKASA-N
MW340.42 g/mol
LogP2.83
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide

N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 111333839) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
PubChem CID111333839
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C20H24N2O3/c1-2-25-18-11-7-6-10-17(18)21-20(24)19(15-8-4-3-5-9-15)22-13-12-16(23)14-22/h3-11,16,19,23H,2,12-14H2,1H3,(H,21,24)/t16-,19?/m0/s1
InChIKeyQRAOTJNMGPNOOD-UCFFOFKASA-N
XLogP2.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724508
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 52513026
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55738106
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 111332556
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylbutan-2-one
CID 163432862
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16599413

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide (CID 111333839) is N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N1CC[C@H](O)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is QRAOTJNMGPNOOD-UCFFOFKASA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-18-11-7-6-10-17(18)21-20(24)19(15-8-4-3-5-9-15)22-13-12-16(23)14-22/h3-11,16,19,23H,2,12-14H2,1H3,(H,21,24)/t16-,19?/m0/s1.
What are the key properties of N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide?
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 340.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 111333839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).