N-cyclopentyloxy-3-(2-methylpropoxy)benzamide

C16H23NO3 — CID 83201941

IUPACN-cyclopentyloxy-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NOC2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-15-9-5-6-13(10-15)16(18)17-20-14-7-3-4-8-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,17,18)
InChIKeyDYIOVTAPBPUBGX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.33
Rot. Bonds6

About N-cyclopentyloxy-3-(2-methylpropoxy)benzamide

N-cyclopentyloxy-3-(2-methylpropoxy)benzamide (PubChem CID 83201941) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclopentyloxy-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3-(2-methylpropoxy)benzamide
PubChem CID83201941
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclopentyloxy-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NOC2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-15-9-5-6-13(10-15)16(18)17-20-14-7-3-4-8-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,17,18)
InChIKeyDYIOVTAPBPUBGX-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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

N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
N-cyclopentyloxy-3-methylsulfonylbenzamide
CID 83203011
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-cyclopentyloxy-3-(2-methylpropoxy)benzamide (CID 83201941) is N-cyclopentyloxy-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-cyclopentyloxy-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-cyclopentyloxy-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-3-(2-methylpropoxy)benzamide?
The InChIKey is DYIOVTAPBPUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)11-19-15-9-5-6-13(10-15)16(18)17-20-14-7-3-4-8-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyloxy-3-(2-methylpropoxy)benzamide?
N-cyclopentyloxy-3-(2-methylpropoxy)benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 83201941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).