N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide

C16H23NO3 — CID 83201776

IUPACN-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NOC2CCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(2)19-11-13-7-9-14(10-8-13)16(18)17-20-15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyDAQDGWSWXWPTCT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.22
Rot. Bonds6

About N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide

N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide (PubChem CID 83201776) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide
PubChem CID83201776
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NOC2CCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(2)19-11-13-7-9-14(10-8-13)16(18)17-20-15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyDAQDGWSWXWPTCT-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-cyclopentyloxybenzamide
CID 83235858
N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
CID 114549766
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
azepan-1-yl-[4-(propan-2-yloxymethyl)phenyl]methanone
CID 60646026
N-cyclopentyloxy-4-prop-2-enoxybenzamide
CID 83202037
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985367
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986513
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide
CID 83235676
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide (CID 83201776) is N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide is CC(C)OCc1ccc(C(=O)NOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is DAQDGWSWXWPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)19-11-13-7-9-14(10-8-13)16(18)17-20-15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide?
N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 83201776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).