6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide

C14H24N2O3 — CID 156883011

IUPAC6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
SMILESC/C=C\C(=O)N(C=O)CCCCCC(=O)NC(C)C
InChIInChI=1S/C14H24N2O3/c1-4-8-14(19)16(11-17)10-7-5-6-9-13(18)15-12(2)3/h4,8,11-12H,5-7,9-10H2,1-3H3,(H,15,18)/b8-4-
InChIKeyXIABBEYXPALUEH-YWEYNIOJSA-N
MW268.36 g/mol
LogP1.63
Rot. Bonds9

About 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide

6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide (PubChem CID 156883011) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
PubChem CID156883011
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
SMILESC/C=C\C(=O)N(C=O)CCCCCC(=O)NC(C)C
InChIInChI=1S/C14H24N2O3/c1-4-8-14(19)16(11-17)10-7-5-6-9-13(18)15-12(2)3/h4,8,11-12H,5-7,9-10H2,1-3H3,(H,15,18)/b8-4-
InChIKeyXIABBEYXPALUEH-YWEYNIOJSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[(Z)-but-2-enoyl]-formylamino]-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
CID 174273440
(Z)-N-formyl-N-pentylbut-2-enamide
CID 89091731
N,N'-di(propan-2-yl)decanediamide
CID 58997511
6-[[(Z)-but-2-enoyl]-formylamino]-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide
CID 177233769
6-[3-[[(Z)-but-2-enoyl]-formylamino]propanoylamino]-N-[6-(3-methylsulfanylpropanoylamino)hexyl]hexanamide
CID 144842603
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide
CID 146358733
4-oxo-N-propan-2-ylbutanamide
CID 87543114
N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide
CID 163381091
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
6-[formyl(3-methylbutanoyl)amino]hexanoyl fluoride
CID 171520087

Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide?
The IUPAC name of 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide (CID 156883011) is 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide?
The canonical SMILES for 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide is C/C=C\C(=O)N(C=O)CCCCCC(=O)NC(C)C.
What is the InChIKey of 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide?
The InChIKey is XIABBEYXPALUEH-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-8-14(19)16(11-17)10-7-5-6-9-13(18)15-12(2)3/h4,8,11-12H,5-7,9-10H2,1-3H3,(H,15,18)/b8-4-.
What are the key properties of 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide?
6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide has a molecular weight of 268.36 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide is sourced from PubChem (CID 156883011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).