2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride

C19H29ClN2O — CID 119533821

IUPAC2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2CC2C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-13(2)15-3-5-16(6-4-15)17-11-18(17)19(22)21-10-8-14-7-9-20-12-14;/h3-6,13-14,17-18,20H,7-12H2,1-2H3,(H,21,22);1H
InChIKeyFUHYDXCIOOVVRJ-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride

2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119533821) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119533821
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2CC2C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-13(2)15-3-5-16(6-4-15)17-11-18(17)19(22)21-10-8-14-7-9-20-12-14;/h3-6,13-14,17-18,20H,7-12H2,1-2H3,(H,21,22);1H
InChIKeyFUHYDXCIOOVVRJ-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119537595
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119537596
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120600612
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride (CID 119533821) is 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride is CC(C)c1ccc(C2CC2C(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is FUHYDXCIOOVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-13(2)15-3-5-16(6-4-15)17-11-18(17)19(22)21-10-8-14-7-9-20-12-14;/h3-6,13-14,17-18,20H,7-12H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119533821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).