(Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide

C17H26N2O2 — CID 122467394

IUPAC(Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide
SMILESC=C/C(=C\CC)CC(=O)N[C@@H](CC(=C)/C=C\C)C(=O)NC
InChIInChI=1S/C17H26N2O2/c1-6-9-13(4)11-15(17(21)18-5)19-16(20)12-14(8-3)10-7-2/h6,8-10,15H,3-4,7,11-12H2,1-2,5H3,(H,18,21)(H,19,20)/b9-6-,14-10+/t15-/m0/s1
InChIKeyBKHSYNAIIZISAF-APEOZQHISA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds9

About (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide

(Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide (PubChem CID 122467394) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide.

Molecular Properties

Compound Name(Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide
PubChem CID122467394
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide
SMILESC=C/C(=C\CC)CC(=O)N[C@@H](CC(=C)/C=C\C)C(=O)NC
InChIInChI=1S/C17H26N2O2/c1-6-9-13(4)11-15(17(21)18-5)19-16(20)12-14(8-3)10-7-2/h6,8-10,15H,3-4,7,11-12H2,1-2,5H3,(H,18,21)(H,19,20)/b9-6-,14-10+/t15-/m0/s1
InChIKeyBKHSYNAIIZISAF-APEOZQHISA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
CID 145077821
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorocyclohexa-1,5-dien-1-yl)propanamide
CID 145077823
N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
CID 153350983
(2S,4Z,5E)-N-[(1-aminocyclopropyl)methyl]-4-ethylidene-2-(methylamino)-6-(trifluoromethyl)octa-5,7-dienamide
CID 156899608
(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide
CID 163930461
(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide
CID 166078128
(3E,5E)-N-(4,4-difluorocyclohexyl)-3-ethenyl-5-fluoro-2-(prop-2-enylamino)hepta-3,5-dienamide;molecular hydrogen
CID 166078277
(Z)-2-[2-[[(2S)-2-aminoheptanoyl]amino]propanoylamino]-4-[(Z)-prop-1-enyl]hept-4-enamide;ethane;1,1,1-trifluoropropane
CID 169180608
(2S)-2-amino-N-[(2S)-1-[(1-amino-3-cyclohexa-1,5-dien-1-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]pentanamide;1,1,1-trifluoro-2-methylpropane
CID 169180657
N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide
CID 46919632

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide?
The IUPAC name of (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide (CID 122467394) is (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide.
What is the SMILES notation for (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide?
The canonical SMILES for (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide is C=C/C(=C\CC)CC(=O)N[C@@H](CC(=C)/C=C\C)C(=O)NC.
What is the InChIKey of (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide?
The InChIKey is BKHSYNAIIZISAF-APEOZQHISA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-9-13(4)11-15(17(21)18-5)19-16(20)12-14(8-3)10-7-2/h6,8-10,15H,3-4,7,11-12H2,1-2,5H3,(H,18,21)(H,19,20)/b9-6-,14-10+/t15-/m0/s1.
What are the key properties of (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide?
(Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-[[(Z)-3-ethenylhex-3-enoyl]amino]-N-methyl-4-methylidenehept-5-enamide is sourced from PubChem (CID 122467394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).