(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide

C14H25N3O2 — CID 89195747

IUPAC(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide
SMILESC/C=N/C=C(\C)C[C@H](N)C(=O)NC(C)(C)C(=O)CC
InChIInChI=1S/C14H25N3O2/c1-6-12(18)14(4,5)17-13(19)11(15)8-10(3)9-16-7-2/h7,9,11H,6,8,15H2,1-5H3,(H,17,19)/b10-9+,16-7+/t11-/m0/s1
InChIKeyCSVJVONCHLJRCA-KOVADCEJSA-N
MW267.37 g/mol
LogP1.57
Rot. Bonds7

About (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide

(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide (PubChem CID 89195747) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide
PubChem CID89195747
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide
SMILESC/C=N/C=C(\C)C[C@H](N)C(=O)NC(C)(C)C(=O)CC
InChIInChI=1S/C14H25N3O2/c1-6-12(18)14(4,5)17-13(19)11(15)8-10(3)9-16-7-2/h7,9,11H,6,8,15H2,1-5H3,(H,17,19)/b10-9+,16-7+/t11-/m0/s1
InChIKeyCSVJVONCHLJRCA-KOVADCEJSA-N
XLogP1.57
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide?
The IUPAC name of (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide (CID 89195747) is (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide.
What is the SMILES notation for (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide?
The canonical SMILES for (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide is C/C=N/C=C(\C)C[C@H](N)C(=O)NC(C)(C)C(=O)CC.
What is the InChIKey of (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide?
The InChIKey is CSVJVONCHLJRCA-KOVADCEJSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-12(18)14(4,5)17-13(19)11(15)8-10(3)9-16-7-2/h7,9,11H,6,8,15H2,1-5H3,(H,17,19)/b10-9+,16-7+/t11-/m0/s1.
What are the key properties of (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide?
(E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide has a molecular weight of 267.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-amino-5-(ethylideneamino)-4-methyl-N-(2-methyl-3-oxopentan-2-yl)pent-4-enamide is sourced from PubChem (CID 89195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).