4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide

C18H28N2O — CID 107415255

IUPAC4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NCC1CCC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-9-19-17-11-14(3)6-8-16(17)18(21)20-12-15-7-5-13(2)10-15/h6,8,11,13,15,19H,4-5,7,9-10,12H2,1-3H3,(H,20,21)
InChIKeyFKRMZPWISBQNLW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.98
Rot. Bonds6

About 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide

4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide (PubChem CID 107415255) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
PubChem CID107415255
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NCC1CCC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-9-19-17-11-14(3)6-8-16(17)18(21)20-12-15-7-5-13(2)10-15/h6,8,11,13,15,19H,4-5,7,9-10,12H2,1-3H3,(H,20,21)
InChIKeyFKRMZPWISBQNLW-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
N-(cyclobutylmethyl)-N-ethyl-4-methyl-2-(propylamino)benzamide
CID 107401376
4-hydrazinyl-2-methyl-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415330
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
5-methyl-N-(4-methylcyclohexyl)-2-(propylamino)benzamide
CID 63500938
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
CID 83025152
N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide
CID 106015467
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide?
The IUPAC name of 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide (CID 107415255) is 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide.
What is the SMILES notation for 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide?
The canonical SMILES for 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide is CCCNc1cc(C)ccc1C(=O)NCC1CCC(C)C1.
What is the InChIKey of 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide?
The InChIKey is FKRMZPWISBQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-9-19-17-11-14(3)6-8-16(17)18(21)20-12-15-7-5-13(2)10-15/h6,8,11,13,15,19H,4-5,7,9-10,12H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide?
4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide is sourced from PubChem (CID 107415255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).