2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide

C16H24N2O — CID 60805843

IUPAC2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1C)C1CCNC1
InChIInChI=1S/C16H24N2O/c1-4-9-18(14-7-8-17-11-14)16(19)15-10-12(2)5-6-13(15)3/h5-6,10,14,17H,4,7-9,11H2,1-3H3
InChIKeyLJVBMXFWHODALZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds4

About 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide

2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 60805843) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID60805843
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1C)C1CCNC1
InChIInChI=1S/C16H24N2O/c1-4-9-18(14-7-8-17-11-14)16(19)15-10-12(2)5-6-13(15)3/h5-6,10,14,17H,4,7-9,11H2,1-3H3
InChIKeyLJVBMXFWHODALZ-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 167918992
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 60805843) is 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1cc(C)ccc1C)C1CCNC1.
What is the InChIKey of 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is LJVBMXFWHODALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-9-18(14-7-8-17-11-14)16(19)15-10-12(2)5-6-13(15)3/h5-6,10,14,17H,4,7-9,11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60805843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).