N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide

C20H27NO3 — CID 57445676

IUPACN-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCCCC2CCCCC2)cc1OC
InChIInChI=1S/C20H27NO3/c1-3-14-24-18-12-11-17(15-19(18)23-2)20(22)21-13-7-10-16-8-5-4-6-9-16/h1,11-12,15-16H,4-10,13-14H2,2H3,(H,21,22)
InChIKeyGWTNZPQMEZQXGM-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.80
Rot. Bonds8

About N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide

N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide (PubChem CID 57445676) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
PubChem CID57445676
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCCCC2CCCCC2)cc1OC
InChIInChI=1S/C20H27NO3/c1-3-14-24-18-12-11-17(15-19(18)23-2)20(22)21-13-7-10-16-8-5-4-6-9-16/h1,11-12,15-16H,4-10,13-14H2,2H3,(H,21,22)
InChIKeyGWTNZPQMEZQXGM-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290535
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
CID 57445670
N-hex-5-ynyl-3,4-dimethoxybenzamide
CID 113256083
N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445710
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290503
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
N-(3,3-dimethylbutan-2-yl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59301808
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide (CID 57445676) is N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NCCCC2CCCCC2)cc1OC.
What is the InChIKey of N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The InChIKey is GWTNZPQMEZQXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-14-24-18-12-11-17(15-19(18)23-2)20(22)21-13-7-10-16-8-5-4-6-9-16/h1,11-12,15-16H,4-10,13-14H2,2H3,(H,21,22).
What are the key properties of N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide?
N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide has a molecular weight of 329.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 57445676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).