N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide

C18H34N2O2 — CID 22972622

IUPACN'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
SMILESCC(C)C(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C18H34N2O2/c1-12(2)15(17(22)20-18(3,4)5)14(16(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)(H,20,22)
InChIKeyLMUVSQRAFFQRRT-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.25
Rot. Bonds7

About N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide

N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide (PubChem CID 22972622) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
PubChem CID22972622
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
SMILESCC(C)C(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C18H34N2O2/c1-12(2)15(17(22)20-18(3,4)5)14(16(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)(H,20,22)
InChIKeyLMUVSQRAFFQRRT-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
CID 20790175
(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
CID 59060113
N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide
CID 22972709
N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
CID 22972676
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
CID 22972628
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
CID 22972626
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251
1-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555113
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555109
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 59033305

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide (CID 22972622) is N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide is CC(C)C(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
The InChIKey is LMUVSQRAFFQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)15(17(22)20-18(3,4)5)14(16(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)(H,20,22).
What are the key properties of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide has a molecular weight of 310.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide is sourced from PubChem (CID 22972622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).