N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide

C19H37N3O2 — CID 175359736

IUPACN-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide
SMILESC=NNCCCC(NC(=O)CCCCCCCCCCC)C(C)=O
InChIInChI=1S/C19H37N3O2/c1-4-5-6-7-8-9-10-11-12-15-19(24)22-18(17(2)23)14-13-16-21-20-3/h18,21H,3-16H2,1-2H3,(H,22,24)
InChIKeyHLBBXFMQNUHWGE-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.97
Rot. Bonds17

About N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide

N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide (PubChem CID 175359736) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide.

Molecular Properties

Compound NameN-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide
PubChem CID175359736
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC NameN-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide
SMILESC=NNCCCC(NC(=O)CCCCCCCCCCC)C(C)=O
InChIInChI=1S/C19H37N3O2/c1-4-5-6-7-8-9-10-11-12-15-19(24)22-18(17(2)23)14-13-16-21-20-3/h18,21H,3-16H2,1-2H3,(H,22,24)
InChIKeyHLBBXFMQNUHWGE-UHFFFAOYSA-N
XLogP3.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide
CID 174995817
2,6-bis(hexanoylamino)-N-[7-(hexylamino)-2-oxoheptan-3-yl]hexanamide
CID 118183467
N-[6-[2-[[2-(hexadecanoylamino)-5-oxohexanoyl]amino]ethylamino]-2,6-dioxohexan-3-yl]hexadecanamide
CID 59449931
N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
CID 153239973
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
(2S)-5-(carbamoylamino)-2-(tricosanoylamino)pentanoic acid
CID 171116714
(2S)-5-(carbamoylamino)-2-(octanoylamino)pentanoic acid
CID 22865601
N-(7-amino-2-oxoheptan-3-yl)-6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanamide
CID 144955370
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190
(Z)-2-(octadecanoylamino)docos-13-enamide
CID 175456361

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide?
The IUPAC name of N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide (CID 175359736) is N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide.
What is the SMILES notation for N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide?
The canonical SMILES for N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide is C=NNCCCC(NC(=O)CCCCCCCCCCC)C(C)=O.
What is the InChIKey of N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide?
The InChIKey is HLBBXFMQNUHWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-5-6-7-8-9-10-11-12-15-19(24)22-18(17(2)23)14-13-16-21-20-3/h18,21H,3-16H2,1-2H3,(H,22,24).
What are the key properties of N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide?
N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide has a molecular weight of 339.52 g/mol, XLogP of 3.97, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide is sourced from PubChem (CID 175359736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).