(Z)-N',N',2,3-tetrapropylbut-2-enediamide

C16H30N2O2 — CID 21097549

IUPAC(Z)-N',N',2,3-tetrapropylbut-2-enediamide
SMILESCCC/C(C(N)=O)=C(\CCC)C(=O)N(CCC)CCC
InChIInChI=1S/C16H30N2O2/c1-5-9-13(15(17)19)14(10-6-2)16(20)18(11-7-3)12-8-4/h5-12H2,1-4H3,(H2,17,19)/b14-13-
InChIKeyVSMSEQHUFKCKLM-YPKPFQOOSA-N
MW282.43 g/mol
LogP3.02
Rot. Bonds10

About (Z)-N',N',2,3-tetrapropylbut-2-enediamide

(Z)-N',N',2,3-tetrapropylbut-2-enediamide (PubChem CID 21097549) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (Z)-N',N',2,3-tetrapropylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N',N',2,3-tetrapropylbut-2-enediamide
PubChem CID21097549
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(Z)-N',N',2,3-tetrapropylbut-2-enediamide
SMILESCCC/C(C(N)=O)=C(\CCC)C(=O)N(CCC)CCC
InChIInChI=1S/C16H30N2O2/c1-5-9-13(15(17)19)14(10-6-2)16(20)18(11-7-3)12-8-4/h5-12H2,1-4H3,(H2,17,19)/b14-13-
InChIKeyVSMSEQHUFKCKLM-YPKPFQOOSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
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 (Z)-N',N',2,3-tetrapropylbut-2-enediamide?
The IUPAC name of (Z)-N',N',2,3-tetrapropylbut-2-enediamide (CID 21097549) is (Z)-N',N',2,3-tetrapropylbut-2-enediamide.
What is the SMILES notation for (Z)-N',N',2,3-tetrapropylbut-2-enediamide?
The canonical SMILES for (Z)-N',N',2,3-tetrapropylbut-2-enediamide is CCC/C(C(N)=O)=C(\CCC)C(=O)N(CCC)CCC.
What is the InChIKey of (Z)-N',N',2,3-tetrapropylbut-2-enediamide?
The InChIKey is VSMSEQHUFKCKLM-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-9-13(15(17)19)14(10-6-2)16(20)18(11-7-3)12-8-4/h5-12H2,1-4H3,(H2,17,19)/b14-13-.
What are the key properties of (Z)-N',N',2,3-tetrapropylbut-2-enediamide?
(Z)-N',N',2,3-tetrapropylbut-2-enediamide has a molecular weight of 282.43 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',N',2,3-tetrapropylbut-2-enediamide is sourced from PubChem (CID 21097549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).