2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride

C18H27ClN2O — CID 119453044

IUPAC2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCC(c2ccccc2)CC1)NC1CCNC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(20-17-10-11-19-13-17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15;/h1-5,14,16-17,19H,6-13H2,(H,20,21);1H
InChIKeyQLXLKEKGTAIUNC-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119453044) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119453044
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCC(c2ccccc2)CC1)NC1CCNC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(20-17-10-11-19-13-17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15;/h1-5,14,16-17,19H,6-13H2,(H,20,21);1H
InChIKeyQLXLKEKGTAIUNC-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylcyclohexyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119427918
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 63005682
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
N-piperidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119427896
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide
CID 111661382
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
N-(2,3-dihydro-1H-inden-2-yl)-2-piperidin-3-ylacetamide
CID 107842647

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119453044) is 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CCC(c2ccccc2)CC1)NC1CCNC1.
What is the InChIKey of 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is QLXLKEKGTAIUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c21-18(20-17-10-11-19-13-17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15;/h1-5,14,16-17,19H,6-13H2,(H,20,21);1H.
What are the key properties of 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119453044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).