N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide

C17H25NO2 — CID 114549766

IUPACN-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(COC(C)C)cc2)C1
InChIInChI=1S/C17H25NO2/c1-12(2)20-11-14-5-7-15(8-6-14)17(19)18-16-9-4-13(3)10-16/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyVXQBUFAIBIXCOT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.53
Rot. Bonds5

About N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide

N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide (PubChem CID 114549766) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
PubChem CID114549766
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(COC(C)C)cc2)C1
InChIInChI=1S/C17H25NO2/c1-12(2)20-11-14-5-7-15(8-6-14)17(19)18-16-9-4-13(3)10-16/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyVXQBUFAIBIXCOT-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide
CID 83201776
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985367
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide (CID 114549766) is N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide is CC1CCC(NC(=O)c2ccc(COC(C)C)cc2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is VXQBUFAIBIXCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)20-11-14-5-7-15(8-6-14)17(19)18-16-9-4-13(3)10-16/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide?
N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 275.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 114549766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).