N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22N2O2 — CID 104974197

IUPACN-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCN2)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-8-4-12(5-9-15)16(19)18(14-6-7-14)11-13-3-2-10-17-13/h4-5,8-9,13-14,17H,2-3,6-7,10-11H2,1H3
InChIKeyINYBOJREBYYIAY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds5

About N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 104974197) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID104974197
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCN2)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-8-4-12(5-9-15)16(19)18(14-6-7-14)11-13-3-2-10-17-13/h4-5,8-9,13-14,17H,2-3,6-7,10-11H2,1H3
InChIKeyINYBOJREBYYIAY-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
N-cyclopropyl-6-oxo-N-(piperidin-2-ylmethyl)pyran-3-carboxamide
CID 106627073
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
4-methoxy-N-(4-methoxyphenyl)-N-[4-(2-piperidin-2-ylethoxy)phenyl]benzamide
CID 69172491
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 104974197) is N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is COc1ccc(C(=O)N(CC2CCCN2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is INYBOJREBYYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-8-4-12(5-9-15)16(19)18(14-6-7-14)11-13-3-2-10-17-13/h4-5,8-9,13-14,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 104974197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).