2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide

C14H20N2O — CID 67732618

IUPAC2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NNCCCCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(2)14(17)16-15-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,15H,1,6-7,10-11H2,2H3,(H,16,17)
InChIKeyXWHJUTJQBQBZNS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.21
Rot. Bonds7

About 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide

2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide (PubChem CID 67732618) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide
PubChem CID67732618
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NNCCCCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(2)14(17)16-15-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,15H,1,6-7,10-11H2,2H3,(H,16,17)
InChIKeyXWHJUTJQBQBZNS-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N'-benzyl-2-methylprop-2-enehydrazide
CID 175049559
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
CID 175978198
CID 175978198
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
2,3-dimethyl-4-oxo-4-(3-phenylpropylamino)but-2-enoic acid
CID 76991316
8-phenyloctylcarbamic acid
CID 90271205
2-methylidene-12-phenyldodecanoic acid
CID 54253232
(carboxyamino)carbamic acid;3-phenylpropylbenzene;hydroiodide
CID 162266552
(2S)-2-(5-phenylpentylamino)propanoic acid
CID 70498389
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
carbonic acid;pentylbenzene
CID 157127683
5-phenylpentan-2-one
CID 16701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide?
The IUPAC name of 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide (CID 67732618) is 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide.
What is the SMILES notation for 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide?
The canonical SMILES for 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide is C=C(C)C(=O)NNCCCCc1ccccc1.
What is the InChIKey of 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide?
The InChIKey is XWHJUTJQBQBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(2)14(17)16-15-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,15H,1,6-7,10-11H2,2H3,(H,16,17).
What are the key properties of 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide?
2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide has a molecular weight of 232.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-phenylbutyl)prop-2-enehydrazide is sourced from PubChem (CID 67732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).