2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C17H27ClN2O2 — CID 119454077

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NC2CCNC2)ccc1C(C)C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-11(2)16-6-5-15(9-12(16)3)21-13(4)17(20)19-14-7-8-18-10-14;/h5-6,9,11,13-14,18H,7-8,10H2,1-4H3,(H,19,20);1H
InChIKeyVXSAGSJQSKFCQJ-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119454077) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119454077
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NC2CCNC2)ccc1C(C)C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-11(2)16-6-5-15(9-12(16)3)21-13(4)17(20)19-14-7-8-18-10-14;/h5-6,9,11,13-14,18H,7-8,10H2,1-4H3,(H,19,20);1H
InChIKeyVXSAGSJQSKFCQJ-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120599814
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428403
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 111661772
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119454077) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cc1cc(OC(C)C(=O)NC2CCNC2)ccc1C(C)C.Cl.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is VXSAGSJQSKFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-11(2)16-6-5-15(9-12(16)3)21-13(4)17(20)19-14-7-8-18-10-14;/h5-6,9,11,13-14,18H,7-8,10H2,1-4H3,(H,19,20);1H.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119454077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).