N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide

C16H31NO — CID 20790175

IUPACN-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
SMILESCC(C)C(CCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO/c1-12(2)14(15(18)17-16(3,4)5)11-10-13-8-6-7-9-13/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKeySAHGHQDDFQAFJI-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.14
Rot. Bonds5

About N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide

N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide (PubChem CID 20790175) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
PubChem CID20790175
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
SMILESCC(C)C(CCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO/c1-12(2)14(15(18)17-16(3,4)5)11-10-13-8-6-7-9-13/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKeySAHGHQDDFQAFJI-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
CID 22972622
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
CID 22972628
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
CID 22972626
(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
CID 59060113
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhexanamide;N,2-ditert-butylhexanamide
CID 161467995
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281
1-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555113
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide (CID 20790175) is N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide is CC(C)C(CCC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide?
The InChIKey is SAHGHQDDFQAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)14(15(18)17-16(3,4)5)11-10-13-8-6-7-9-13/h12-14H,6-11H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide?
N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide has a molecular weight of 253.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide is sourced from PubChem (CID 20790175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).