1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide

C12H22INO — CID 106846383

IUPAC1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCCCCI)CCCC1
InChIInChI=1S/C12H22INO/c1-2-12(7-3-4-8-12)11(15)14-10-6-5-9-13/h2-10H2,1H3,(H,14,15)
InChIKeyWWFFNTAVZMFHKO-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.29
Rot. Bonds6

About 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide

1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide (PubChem CID 106846383) has the molecular formula C12H22INO and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide
PubChem CID106846383
Molecular FormulaC12H22INO
Molecular Weight323.22 g/mol
Exact Mass323.07
IUPAC Name1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCCCCI)CCCC1
InChIInChI=1S/C12H22INO/c1-2-12(7-3-4-8-12)11(15)14-10-6-5-9-13/h2-10H2,1H3,(H,14,15)
InChIKeyWWFFNTAVZMFHKO-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176
N-butyl-1-ethylcyclopropane-1-carboxamide;ethane
CID 171795822
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119497906
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide (CID 106846383) is 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide is CCC1(C(=O)NCCCCI)CCCC1.
What is the InChIKey of 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide?
The InChIKey is WWFFNTAVZMFHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22INO/c1-2-12(7-3-4-8-12)11(15)14-10-6-5-9-13/h2-10H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide?
1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 106846383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).