N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide

C16H30N2O2 — CID 22972674

IUPACN'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
SMILESCCCCC(C(N)=O)C(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-5-6-7-12(14(17)19)13(10-11-8-9-11)15(20)18-16(2,3)4/h11-13H,5-10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyZUNMWWGLIHKWOI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.61
Rot. Bonds8

About N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide

N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide (PubChem CID 22972674) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
PubChem CID22972674
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
SMILESCCCCC(C(N)=O)C(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-5-6-7-12(14(17)19)13(10-11-8-9-11)15(20)18-16(2,3)4/h11-13H,5-10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyZUNMWWGLIHKWOI-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.61
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-butyl-3-(cyclopropylmethyl)butanediamide?
The IUPAC name of N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide (CID 22972674) is N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide is CCCCC(C(N)=O)C(CC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide?
The InChIKey is ZUNMWWGLIHKWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-6-7-12(14(17)19)13(10-11-8-9-11)15(20)18-16(2,3)4/h11-13H,5-10H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide?
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide has a molecular weight of 282.43 g/mol, XLogP of 2.61, 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-butyl-3-(cyclopropylmethyl)butanediamide is sourced from PubChem (CID 22972674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).