N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride

C22H27ClN2O2 — CID 67919858

IUPACN-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1ccccc1)[C@@H]1c2ccccc2OC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-23(21(25)15-17-9-3-2-4-10-17)22-18-11-5-6-12-20(18)26-16-19(22)24-13-7-8-14-24;/h2-6,9-12,19,22H,7-8,13-16H2,1H3;1H/t19-,22-;/m1./s1
InChIKeyJDWHRCNQNRFHDB-JENXBZAWSA-N
MW386.92 g/mol
LogP3.71
Rot. Bonds4

About N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride

N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride (PubChem CID 67919858) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride
PubChem CID67919858
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1ccccc1)[C@@H]1c2ccccc2OC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-23(21(25)15-17-9-3-2-4-10-17)22-18-11-5-6-12-20(18)26-16-19(22)24-13-7-8-14-24;/h2-6,9-12,19,22H,7-8,13-16H2,1H3;1H/t19-,22-;/m1./s1
InChIKeyJDWHRCNQNRFHDB-JENXBZAWSA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46878006
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N-methyl-2-naphthalen-1-yl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 3087827
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 166138465
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
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CID 54362115
2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
CID 45262675
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 54611509
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 110127428
2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride
CID 22120690

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride?
The IUPAC name of N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride (CID 67919858) is N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride is CN(C(=O)Cc1ccccc1)[C@@H]1c2ccccc2OC[C@H]1N1CCCC1.Cl.
What is the InChIKey of N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride?
The InChIKey is JDWHRCNQNRFHDB-JENXBZAWSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-23(21(25)15-17-9-3-2-4-10-17)22-18-11-5-6-12-20(18)26-16-19(22)24-13-7-8-14-24;/h2-6,9-12,19,22H,7-8,13-16H2,1H3;1H/t19-,22-;/m1./s1.
What are the key properties of N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride?
N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 67919858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).