cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide

C18H26N2O2 — CID 2218274

IUPACcis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
SMILESCCCCCCCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-9-12-17(21)19-20-18(22)16-13-15(16)14-10-7-6-8-11-14/h6-8,10-11,15-16H,2-5,9,12-13H2,1H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1
InChIKeyAQYQNXZFQHFXAQ-HOTGVXAUSA-N
MW302.42 g/mol
LogP3.30
Rot. Bonds8

About cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide

cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide (PubChem CID 2218274) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
PubChem CID2218274
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
SMILESCCCCCCCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-9-12-17(21)19-20-18(22)16-13-15(16)14-10-7-6-8-11-14/h6-8,10-11,15-16H,2-5,9,12-13H2,1H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1
InChIKeyAQYQNXZFQHFXAQ-HOTGVXAUSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
octyl 2-phenylcyclopropane-1-carboxylate
CID 91709958
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
1-(octanoylamino)-3-phenylurea
CID 5130887
N'-benzylhexadecanehydrazide
CID 154391297

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide (CID 2218274) is cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide is CCCCCCCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide?
The InChIKey is AQYQNXZFQHFXAQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-3-4-5-9-12-17(21)19-20-18(22)16-13-15(16)14-10-7-6-8-11-14/h6-8,10-11,15-16H,2-5,9,12-13H2,1H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide?
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide has a molecular weight of 302.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 2218274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).