N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide

C21H33NO2 — CID 21361598

IUPACN-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCC2CCCC2CC)cc1
InChIInChI=1S/C21H33NO2/c1-3-5-6-7-15-24-20-13-11-18(12-14-20)21(23)22-16-19-10-8-9-17(19)4-2/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,22,23)
InChIKeyZAVCQDDKLICXJY-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.20
Rot. Bonds10

About N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide

N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide (PubChem CID 21361598) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
PubChem CID21361598
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC NameN-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCC2CCCC2CC)cc1
InChIInChI=1S/C21H33NO2/c1-3-5-6-7-15-24-20-13-11-18(12-14-20)21(23)22-16-19-10-8-9-17(19)4-2/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,22,23)
InChIKeyZAVCQDDKLICXJY-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 22992855
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
4-heptoxy-N-methylbenzamide
CID 3291691
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-pentoxybenzohydrazide
CID 2727702

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide?
The IUPAC name of N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide (CID 21361598) is N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide.
What is the SMILES notation for N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide?
The canonical SMILES for N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NCC2CCCC2CC)cc1.
What is the InChIKey of N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide?
The InChIKey is ZAVCQDDKLICXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-3-5-6-7-15-24-20-13-11-18(12-14-20)21(23)22-16-19-10-8-9-17(19)4-2/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide?
N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide has a molecular weight of 331.50 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide is sourced from PubChem (CID 21361598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).