(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide

C14H26N2O2 — CID 88590733

IUPAC(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide
SMILESCC(C)C(C/C=C/CC(C(N)=O)C(C)C)C(N)=O
InChIInChI=1S/C14H26N2O2/c1-9(2)11(13(15)17)7-5-6-8-12(10(3)4)14(16)18/h5-6,9-12H,7-8H2,1-4H3,(H2,15,17)(H2,16,18)/b6-5+
InChIKeyZBGPIOXGSAASQA-AATRIKPKSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds8

About (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide

(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide (PubChem CID 88590733) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide.

Molecular Properties

Compound Name(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide
PubChem CID88590733
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide
SMILESCC(C)C(C/C=C/CC(C(N)=O)C(C)C)C(N)=O
InChIInChI=1S/C14H26N2O2/c1-9(2)11(13(15)17)7-5-6-8-12(10(3)4)14(16)18/h5-6,9-12H,7-8H2,1-4H3,(H2,15,17)(H2,16,18)/b6-5+
InChIKeyZBGPIOXGSAASQA-AATRIKPKSA-N
XLogP1.84
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-4-sulfanylpentanamide
CID 126656807
(2R)-4-iodo-2-propan-2-ylpentanamide
CID 89289820
4-hydroxy-2-propan-2-ylpent-4-enamide
CID 145216549
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 11513844
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoyl chloride
CID 91998874
(E)-2-methylhex-4-enamide
CID 126589197
(E)-2-propan-2-ylnon-4-enoate
CID 90471183
prop-2-enyl (2S)-5-chloro-2-propan-2-ylpent-4-enoate
CID 87471374
3-carbamoyl-4,5-dimethylhexanoic acid
CID 145216564
(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
CID 57377208
2-(1-iodoethyl)-4,4-dimethylpentanamide
CID 159720292
(E,3S)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E,2R)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 161098058

Frequently Asked Questions

What is the IUPAC name of (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide?
The IUPAC name of (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide (CID 88590733) is (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide.
What is the SMILES notation for (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide?
The canonical SMILES for (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide is CC(C)C(C/C=C/CC(C(N)=O)C(C)C)C(N)=O.
What is the InChIKey of (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide?
The InChIKey is ZBGPIOXGSAASQA-AATRIKPKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)11(13(15)17)7-5-6-8-12(10(3)4)14(16)18/h5-6,9-12H,7-8H2,1-4H3,(H2,15,17)(H2,16,18)/b6-5+.
What are the key properties of (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide?
(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide has a molecular weight of 254.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide is sourced from PubChem (CID 88590733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).