N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22N2O — CID 104974147

IUPACN-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C16H22N2O/c1-12-4-2-5-13(10-12)16(19)18(15-7-8-15)11-14-6-3-9-17-14/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3
InChIKeyJHNRRKFAZXXTDP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.35
Rot. Bonds4

About N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 104974147) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID104974147
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C16H22N2O/c1-12-4-2-5-13(10-12)16(19)18(15-7-8-15)11-14-6-3-9-17-14/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3
InChIKeyJHNRRKFAZXXTDP-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626967
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
N-cyclopropyl-2-hydroxy-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627042
N-cyclopropyl-5-ethyl-4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 129398885
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106599374

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 104974147) is N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1cccc(C(=O)N(CC2CCCN2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is JHNRRKFAZXXTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-2-5-13(10-12)16(19)18(15-7-8-15)11-14-6-3-9-17-14/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 258.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 104974147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).