N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H25ClN2O2 — CID 119692035

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)CC2CCCN2)C2CC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-16-8-4-13(5-9-16)12-19(15-6-7-15)17(20)11-14-3-2-10-18-14;/h4-5,8-9,14-15,18H,2-3,6-7,10-12H2,1H3;1H
InChIKeyBPTJLIYCHWWXPF-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.75
Rot. Bonds6

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119692035) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119692035
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)CC2CCCN2)C2CC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-16-8-4-13(5-9-16)12-19(15-6-7-15)17(20)11-14-3-2-10-18-14;/h4-5,8-9,14-15,18H,2-3,6-7,10-12H2,1H3;1H
InChIKeyBPTJLIYCHWWXPF-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-benzyl-N-(4-methoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119691210
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119692017
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119692035) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is COc1ccc(CN(C(=O)CC2CCCN2)C2CC2)cc1.Cl.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is BPTJLIYCHWWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-21-16-8-4-13(5-9-16)12-19(15-6-7-15)17(20)11-14-3-2-10-18-14;/h4-5,8-9,14-15,18H,2-3,6-7,10-12H2,1H3;1H.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119692035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).