N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide

C17H25NO2 — CID 114550316

IUPACN-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C17H25NO2/c1-4-10-20-15-7-5-6-13(11-15)16(19)18-14-8-9-17(2,3)12-14/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,18,19)
InChIKeyFGXLTLZFYAXZDU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.78
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide

N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide (PubChem CID 114550316) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
PubChem CID114550316
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C17H25NO2/c1-4-10-20-15-7-5-6-13(11-15)16(19)18-14-8-9-17(2,3)12-14/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,18,19)
InChIKeyFGXLTLZFYAXZDU-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
CID 113337544
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-propoxybenzamide
CID 115338841

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide (CID 114550316) is N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NC2CCC(C)(C)C2)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide?
The InChIKey is FGXLTLZFYAXZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-10-20-15-7-5-6-13(11-15)16(19)18-14-8-9-17(2,3)12-14/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,18,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide?
N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide has a molecular weight of 275.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide is sourced from PubChem (CID 114550316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).