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

C18H32N2O2 — CID 22972625

IUPACN'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide
SMILESCC1CC1CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C18H32N2O2/c1-11-9-13(11)10-15(17(22)20-18(2,3)4)14(16(19)21)8-7-12-5-6-12/h11-15H,5-10H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyVVQNAXREBLBUQI-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.86
Rot. Bonds8

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

N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide (PubChem CID 22972625) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide
PubChem CID22972625
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide
SMILESCC1CC1CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C18H32N2O2/c1-11-9-13(11)10-15(17(22)20-18(2,3)4)14(16(19)21)8-7-12-5-6-12/h11-15H,5-10H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyVVQNAXREBLBUQI-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
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-methylcyclopropyl)methyl]butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide (CID 22972625) is N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide is CC1CC1CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
The InChIKey is VVQNAXREBLBUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-11-9-13(11)10-15(17(22)20-18(2,3)4)14(16(19)21)8-7-12-5-6-12/h11-15H,5-10H2,1-4H3,(H2,19,21)(H,20,22).
What are the key properties of N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide?
N'-tert-butyl-2-(2-cyclopropylethyl)-3-[(2-methylcyclopropyl)methyl]butanediamide has a molecular weight of 308.47 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-methylcyclopropyl)methyl]butanediamide is sourced from PubChem (CID 22972625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).