(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide

C14H26N2O2 — CID 11715814

IUPAC(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide
SMILESC/C(=C/[C@H](C)NC(=O)C(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)15-12(17)10(3)8-11(4)16-13(18)14(5,6)7/h8-9,11H,1-7H3,(H,15,17)(H,16,18)/b10-8-/t11-/m0/s1
InChIKeyHQWYSBKYPUIHEH-IEHMKBBKSA-N
MW254.37 g/mol
LogP2.01
Rot. Bonds4

About (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide

(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide (PubChem CID 11715814) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide.

Molecular Properties

Compound Name(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide
PubChem CID11715814
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide
SMILESC/C(=C/[C@H](C)NC(=O)C(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)15-12(17)10(3)8-11(4)16-13(18)14(5,6)7/h8-9,11H,1-7H3,(H,15,17)(H,16,18)/b10-8-/t11-/m0/s1
InChIKeyHQWYSBKYPUIHEH-IEHMKBBKSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
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,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide?
The IUPAC name of (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide (CID 11715814) is (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide.
What is the SMILES notation for (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide?
The canonical SMILES for (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide is C/C(=C/[C@H](C)NC(=O)C(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide?
The InChIKey is HQWYSBKYPUIHEH-IEHMKBBKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)15-12(17)10(3)8-11(4)16-13(18)14(5,6)7/h8-9,11H,1-7H3,(H,15,17)(H,16,18)/b10-8-/t11-/m0/s1.
What are the key properties of (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide?
(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide is sourced from PubChem (CID 11715814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).