2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide

C21H40N2O2 — CID 614197

IUPAC2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide
SMILESC=C(CC(=O)N(CC(C)C)CC(C)C)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C21H40N2O2/c1-15(2)11-22(12-16(3)4)20(24)10-19(9)21(25)23(13-17(5)6)14-18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyKIXOLRMNMVVRQJ-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.21
Rot. Bonds11

About 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide

2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide (PubChem CID 614197) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide
PubChem CID614197
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide
SMILESC=C(CC(=O)N(CC(C)C)CC(C)C)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C21H40N2O2/c1-15(2)11-22(12-16(3)4)20(24)10-19(9)21(25)23(13-17(5)6)14-18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyKIXOLRMNMVVRQJ-UHFFFAOYSA-N
XLogP4.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
The IUPAC name of 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide (CID 614197) is 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide.
What is the SMILES notation for 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
The canonical SMILES for 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide is C=C(CC(=O)N(CC(C)C)CC(C)C)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
The InChIKey is KIXOLRMNMVVRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-15(2)11-22(12-16(3)4)20(24)10-19(9)21(25)23(13-17(5)6)14-18(7)8/h15-18H,9-14H2,1-8H3.
What are the key properties of 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide has a molecular weight of 352.56 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide is sourced from PubChem (CID 614197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).