N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide

C20H36N2O2 — CID 22972617

IUPACN'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide
SMILESCC1CC1CC(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C20H36N2O2/c1-13-11-15(13)12-17(19(24)22-20(2,3)4)16(18(21)23)10-9-14-7-5-6-8-14/h13-17H,5-12H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyDVXMNVOGIOXLEE-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.64
Rot. Bonds8

About N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide

N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide (PubChem CID 22972617) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide
PubChem CID22972617
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide
SMILESCC1CC1CC(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C20H36N2O2/c1-13-11-15(13)12-17(19(24)22-20(2,3)4)16(18(21)23)10-9-14-7-5-6-8-14/h13-17H,5-12H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyDVXMNVOGIOXLEE-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Tetradecan-2-ylpyrrolidine-2,5-dione
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N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide
CID 20790174
N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
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N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide
CID 20790176
N-tert-butyl-2-(2-cyclopropylethyl)-3-methylbutanamide
CID 20790178
N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide
CID 20790205
N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide
CID 20790218
N-tert-butyl-2-(cyclopentylmethyl)hexanamide
CID 20790221
N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide
CID 20790269

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide (CID 22972617) is N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide is CC1CC1CC(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
The InChIKey is DVXMNVOGIOXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-13-11-15(13)12-17(19(24)22-20(2,3)4)16(18(21)23)10-9-14-7-5-6-8-14/h13-17H,5-12H2,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
N'-tert-butyl-2-(2-cyclopentylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide has a molecular weight of 336.52 g/mol, XLogP of 3.64, 8 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-[(2-methylcyclopropyl)methyl]butanediamide is sourced from PubChem (CID 22972617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).