N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

C18H26N2O — CID 5240480

IUPACN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-4-18(2,3)15-10-12-16(13-11-15)19-20-17(21)14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,20,21)/b19-16-
InChIKeyJCDQDGVNXBXDLN-MNDPQUGUSA-N
MW286.42 g/mol
LogP4.40
Rot. Bonds4

About N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (PubChem CID 5240480) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
PubChem CID5240480
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-4-18(2,3)15-10-12-16(13-11-15)19-20-17(21)14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,20,21)/b19-16-
InChIKeyJCDQDGVNXBXDLN-MNDPQUGUSA-N
XLogP4.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4556862
2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 579792
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4108125
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide
CID 4149734
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
CID 4650730
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 5109033
3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9463217
N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 7675163
N-(cyclododecylideneamino)benzamide
CID 4147051
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 3437597

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The IUPAC name of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (CID 5240480) is N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.
What is the SMILES notation for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The canonical SMILES for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The InChIKey is JCDQDGVNXBXDLN-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-18(2,3)15-10-12-16(13-11-15)19-20-17(21)14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,20,21)/b19-16-.
What are the key properties of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide has a molecular weight of 286.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is sourced from PubChem (CID 5240480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).