N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide

C17H32N2O2 — CID 22972628

IUPACN'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
SMILESCC(C)CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C17H32N2O2/c1-11(2)10-14(16(21)19-17(3,4)5)13(15(18)20)9-8-12-6-7-12/h11-14H,6-10H2,1-5H3,(H2,18,20)(H,19,21)
InChIKeyYQULIZADSRKMLW-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.86
Rot. Bonds8

About N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide

N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide (PubChem CID 22972628) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
PubChem CID22972628
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
SMILESCC(C)CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C17H32N2O2/c1-11(2)10-14(16(21)19-17(3,4)5)13(15(18)20)9-8-12-6-7-12/h11-14H,6-10H2,1-5H3,(H2,18,20)(H,19,21)
InChIKeyYQULIZADSRKMLW-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide (CID 22972628) is N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide is CC(C)CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide?
The InChIKey is YQULIZADSRKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)10-14(16(21)19-17(3,4)5)13(15(18)20)9-8-12-6-7-12/h11-14H,6-10H2,1-5H3,(H2,18,20)(H,19,21).
What are the key properties of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide?
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide has a molecular weight of 296.46 g/mol, XLogP of 2.86, 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-cyclopropylethyl)-3-(2-methylpropyl)butanediamide is sourced from PubChem (CID 22972628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).