N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride

C18H29ClN2O — CID 119550298

IUPACN,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCN(C(=O)C(C)(C)CCCc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-18(2,12-7-10-15-8-5-4-6-9-15)17(21)20(3)16-11-13-19-14-16;/h4-6,8-9,16,19H,7,10-14H2,1-3H3;1H
InChIKeyJZKAFFHXZYRGEO-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.28
Rot. Bonds6

About N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride

N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride (PubChem CID 119550298) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride.

Molecular Properties

Compound NameN,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
PubChem CID119550298
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCN(C(=O)C(C)(C)CCCc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-18(2,12-7-10-15-8-5-4-6-9-15)17(21)20(3)16-11-13-19-14-16;/h4-6,8-9,16,19H,7,10-14H2,1-3H3;1H
InChIKeyJZKAFFHXZYRGEO-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424602
2-(2-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551745
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
N,2-dimethyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119553530
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119549893
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The IUPAC name of N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride (CID 119550298) is N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride.
What is the SMILES notation for N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The canonical SMILES for N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride is CN(C(=O)C(C)(C)CCCc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The InChIKey is JZKAFFHXZYRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-18(2,12-7-10-15-8-5-4-6-9-15)17(21)20(3)16-11-13-19-14-16;/h4-6,8-9,16,19H,7,10-14H2,1-3H3;1H.
What are the key properties of N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride is sourced from PubChem (CID 119550298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).