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

C16H30N2O2 — CID 22972629

IUPACN'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide
SMILESCC(C)C(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C16H30N2O2/c1-10(2)13(15(20)18-16(3,4)5)12(14(17)19)9-8-11-6-7-11/h10-13H,6-9H2,1-5H3,(H2,17,19)(H,18,20)
InChIKeyYGWIUILOMAITHC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.46
Rot. Bonds7

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

N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide (PubChem CID 22972629) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide
PubChem CID22972629
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide
SMILESCC(C)C(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C16H30N2O2/c1-10(2)13(15(20)18-16(3,4)5)12(14(17)19)9-8-11-6-7-11/h10-13H,6-9H2,1-5H3,(H2,17,19)(H,18,20)
InChIKeyYGWIUILOMAITHC-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.46
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-propan-2-ylbutanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide (CID 22972629) is N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide is CC(C)C(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide?
The InChIKey is YGWIUILOMAITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10(2)13(15(20)18-16(3,4)5)12(14(17)19)9-8-11-6-7-11/h10-13H,6-9H2,1-5H3,(H2,17,19)(H,18,20).
What are the key properties of N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide?
N'-tert-butyl-2-(2-cyclopropylethyl)-3-propan-2-ylbutanediamide has a molecular weight of 282.43 g/mol, XLogP of 2.46, 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-cyclopropylethyl)-3-propan-2-ylbutanediamide is sourced from PubChem (CID 22972629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).