N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide

C21H37N3O — CID 143358708

IUPACN-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide
SMILESC=CC(=C)C(CCCCNNC(=C)C(=O)N(C)CCCC)CC1CC1
InChIInChI=1S/C21H37N3O/c1-6-8-15-24(5)21(25)18(4)23-22-14-10-9-11-20(17(3)7-2)16-19-12-13-19/h7,19-20,22-23H,2-4,6,8-16H2,1,5H3
InChIKeyNHUWMLDZKRJZCV-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.18
Rot. Bonds15

About N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide

N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide (PubChem CID 143358708) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide
PubChem CID143358708
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC NameN-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide
SMILESC=CC(=C)C(CCCCNNC(=C)C(=O)N(C)CCCC)CC1CC1
InChIInChI=1S/C21H37N3O/c1-6-8-15-24(5)21(25)18(4)23-22-14-10-9-11-20(17(3)7-2)16-19-12-13-19/h7,19-20,22-23H,2-4,6,8-16H2,1,5H3
InChIKeyNHUWMLDZKRJZCV-UHFFFAOYSA-N
XLogP4.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 89102892
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pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate
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N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523010
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-ethenyl-2-ethyl-N-methylhexanamide
CID 87457733
N-but-1-en-2-yl-N-methylbutan-1-amine
CID 123604210

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide?
The IUPAC name of N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide (CID 143358708) is N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide?
The canonical SMILES for N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide is C=CC(=C)C(CCCCNNC(=C)C(=O)N(C)CCCC)CC1CC1.
What is the InChIKey of N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide?
The InChIKey is NHUWMLDZKRJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-6-8-15-24(5)21(25)18(4)23-22-14-10-9-11-20(17(3)7-2)16-19-12-13-19/h7,19-20,22-23H,2-4,6,8-16H2,1,5H3.
What are the key properties of N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide?
N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide has a molecular weight of 347.55 g/mol, XLogP of 4.18, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[5-(cyclopropylmethyl)-6-methylideneoct-7-enyl]hydrazinyl]-N-methylprop-2-enamide is sourced from PubChem (CID 143358708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).