N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide

C14H24N2O2 — CID 90878864

IUPACN-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
SMILESC=C(C(=C)C(=O)NC(C)(C)C)C(=O)NCC(C)C
InChIInChI=1S/C14H24N2O2/c1-9(2)8-15-12(17)10(3)11(4)13(18)16-14(5,6)7/h9H,3-4,8H2,1-2,5-7H3,(H,15,17)(H,16,18)
InChIKeyDHSVEABLQMOKNF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds5

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

N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide (PubChem CID 90878864) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
PubChem CID90878864
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
SMILESC=C(C(=C)C(=O)NC(C)(C)C)C(=O)NCC(C)C
InChIInChI=1S/C14H24N2O2/c1-9(2)8-15-12(17)10(3)11(4)13(18)16-14(5,6)7/h9H,3-4,8H2,1-2,5-7H3,(H,15,17)(H,16,18)
InChIKeyDHSVEABLQMOKNF-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 135061980
2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide
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(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide
CID 90499420
methyl 3-amino-3,5,5-trimethyl-6-(2-methylpropylamino)hept-6-enoate
CID 155248935
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
ethane;N-(2-methylpropyl)acetamide
CID 142232237
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
The IUPAC name of N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide (CID 90878864) is N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide.
What is the SMILES notation for N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
The canonical SMILES for N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide is C=C(C(=C)C(=O)NC(C)(C)C)C(=O)NCC(C)C.
What is the InChIKey of N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
The InChIKey is DHSVEABLQMOKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)8-15-12(17)10(3)11(4)13(18)16-14(5,6)7/h9H,3-4,8H2,1-2,5-7H3,(H,15,17)(H,16,18).
What are the key properties of N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide has a molecular weight of 252.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide is sourced from PubChem (CID 90878864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).