2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide

C16H31NO — CID 70910476

IUPAC2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(CCC1CCCC1)CC(C)(C)C
InChIInChI=1S/C16H31NO/c1-5-17-15(18)14(12-16(2,3)4)11-10-13-8-6-7-9-13/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKeyPFQIRPLUUKYJGF-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.15
Rot. Bonds6

About 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide

2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide (PubChem CID 70910476) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
PubChem CID70910476
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(CCC1CCCC1)CC(C)(C)C
InChIInChI=1S/C16H31NO/c1-5-17-15(18)14(12-16(2,3)4)11-10-13-8-6-7-9-13/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKeyPFQIRPLUUKYJGF-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
CID 89093747
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
sodium 2-(2-cyclohexylethyl)pentanoate
CID 23662839
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
CID 115188971
2-chloro-N-ethyl-4,4-dimethylpentanamide
CID 62966359
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
CID 71148603
3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
CID 142227816
1-[3-cyclopentyl-1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 71050663

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide?
The IUPAC name of 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide (CID 70910476) is 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide is CCNC(=O)C(CCC1CCCC1)CC(C)(C)C.
What is the InChIKey of 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide?
The InChIKey is PFQIRPLUUKYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-17-15(18)14(12-16(2,3)4)11-10-13-8-6-7-9-13/h13-14H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide?
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide has a molecular weight of 253.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide is sourced from PubChem (CID 70910476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).