N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

C23H28N2O3 — CID 22177100

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(C(=O)C1CCOc2ccccc21)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-24(23(27)20-12-14-28-22-10-6-5-9-19(20)22)21(17-7-3-2-4-8-17)16-25-13-11-18(26)15-25/h2-10,18,20-21,26H,11-16H2,1H3
InChIKeyKOESWBLPZLPMJL-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 22177100) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID22177100
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(C(=O)C1CCOc2ccccc21)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-24(23(27)20-12-14-28-22-10-6-5-9-19(20)22)21(17-7-3-2-4-8-17)16-25-13-11-18(26)15-25/h2-10,18,20-21,26H,11-16H2,1H3
InChIKeyKOESWBLPZLPMJL-UHFFFAOYSA-N
XLogP2.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
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N-[(1S)-1-(4-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-9H-xanthene-9-carboxamide
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N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
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N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N,1-dimethyl-2,3-dihydroindole-2-carboxamide
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N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
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azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
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N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
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2-(2-aminophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 22177100) is N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is CN(C(=O)C1CCOc2ccccc21)C(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is KOESWBLPZLPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24(23(27)20-12-14-28-22-10-6-5-9-19(20)22)21(17-7-3-2-4-8-17)16-25-13-11-18(26)15-25/h2-10,18,20-21,26H,11-16H2,1H3.
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 22177100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).