4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H23ClN2O2 — CID 119551835

IUPAC4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-18(14-8-9-17-10-14)16(19)13-4-6-15(7-5-13)20-11-12-2-3-12;/h4-7,12,14,17H,2-3,8-11H2,1H3;1H
InChIKeyXEBLJZVITVDQKY-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.33
Rot. Bonds5

About 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119551835) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119551835
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-18(14-8-9-17-10-14)16(19)13-4-6-15(7-5-13)20-11-12-2-3-12;/h4-7,12,14,17H,2-3,8-11H2,1H3;1H
InChIKeyXEBLJZVITVDQKY-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119551835) is 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(OCC2CC2)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is XEBLJZVITVDQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-18(14-8-9-17-10-14)16(19)13-4-6-15(7-5-13)20-11-12-2-3-12;/h4-7,12,14,17H,2-3,8-11H2,1H3;1H.
What are the key properties of 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119551835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).