3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H25N3O2 — CID 119536660

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H25N3O2/c1-12-9-16(12)18(23)21-15-4-2-3-14(10-15)17(22)20-8-6-13-5-7-19-11-13/h2-4,10,12-13,16,19H,5-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQLYSPJDSPSKRFB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.01
Rot. Bonds6

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119536660) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119536660
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H25N3O2/c1-12-9-16(12)18(23)21-15-4-2-3-14(10-15)17(22)20-8-6-13-5-7-19-11-13/h2-4,10,12-13,16,19H,5-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQLYSPJDSPSKRFB-UHFFFAOYSA-N
XLogP2.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119536660) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is QLYSPJDSPSKRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-9-16(12)18(23)21-15-4-2-3-14(10-15)17(22)20-8-6-13-5-7-19-11-13/h2-4,10,12-13,16,19H,5-9,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119536660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).