N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide

C22H34N2O2 — CID 166138465

IUPACN-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCCCO[C@H]1CC[C@H](N(C)C(=O)Cc2ccccc2)[C@@H](N2CCCC2)C1
InChIInChI=1S/C22H34N2O2/c1-3-15-26-19-11-12-20(21(17-19)24-13-7-8-14-24)23(2)22(25)16-18-9-5-4-6-10-18/h4-6,9-10,19-21H,3,7-8,11-17H2,1-2H3/t19-,20-,21-/m0/s1
InChIKeyMJNSPXDLGCRULQ-ACRUOGEOSA-N
MW358.53 g/mol
LogP3.50
Rot. Bonds7

About N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide

N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 166138465) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID166138465
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCCCO[C@H]1CC[C@H](N(C)C(=O)Cc2ccccc2)[C@@H](N2CCCC2)C1
InChIInChI=1S/C22H34N2O2/c1-3-15-26-19-11-12-20(21(17-19)24-13-7-8-14-24)23(2)22(25)16-18-9-5-4-6-10-18/h4-6,9-10,19-21H,3,7-8,11-17H2,1-2H3/t19-,20-,21-/m0/s1
InChIKeyMJNSPXDLGCRULQ-ACRUOGEOSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
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
N-methyl-2-(4-nitrophenyl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632710
2-(3-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 14771377
N-methyl-2-(4-nitrophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878015
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444
(E)-but-2-enedioic acid;2-(4-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 54611504
N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride
CID 67919858
2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
CID 21328053
N-methyl-2-phenylsulfanyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 18603294

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 166138465) is N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide is CCCO[C@H]1CC[C@H](N(C)C(=O)Cc2ccccc2)[C@@H](N2CCCC2)C1.
What is the InChIKey of N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is MJNSPXDLGCRULQ-ACRUOGEOSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-3-15-26-19-11-12-20(21(17-19)24-13-7-8-14-24)23(2)22(25)16-18-9-5-4-6-10-18/h4-6,9-10,19-21H,3,7-8,11-17H2,1-2H3/t19-,20-,21-/m0/s1.
What are the key properties of N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide?
N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 358.53 g/mol, XLogP of 3.50, 7 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-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 166138465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).