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

C17H30N2O2 — CID 22972627

IUPACN'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide
SMILESCC(C)(C)NC(=O)C(CC1CC1)C(CCC1CC1)C(N)=O
InChIInChI=1S/C17H30N2O2/c1-17(2,3)19-16(21)14(10-12-6-7-12)13(15(18)20)9-8-11-4-5-11/h11-14H,4-10H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyXUKLHZMWRHYGEE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.61
Rot. Bonds8

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

N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide (PubChem CID 22972627) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide
PubChem CID22972627
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide
SMILESCC(C)(C)NC(=O)C(CC1CC1)C(CCC1CC1)C(N)=O
InChIInChI=1S/C17H30N2O2/c1-17(2,3)19-16(21)14(10-12-6-7-12)13(15(18)20)9-8-11-4-5-11/h11-14H,4-10H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyXUKLHZMWRHYGEE-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
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-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide (CID 22972627) is N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide is CC(C)(C)NC(=O)C(CC1CC1)C(CCC1CC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide?
The InChIKey is XUKLHZMWRHYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)19-16(21)14(10-12-6-7-12)13(15(18)20)9-8-11-4-5-11/h11-14H,4-10H2,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide?
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide has a molecular weight of 294.44 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-(2-cyclopropylethyl)-3-(cyclopropylmethyl)butanediamide is sourced from PubChem (CID 22972627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).