N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide

C18H25N3O2 — CID 6941303

IUPACN'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)N/N=C2/CCCC[C@H]2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-7-9-15(10-8-13)19-17(22)11-12-18(23)21-20-16-6-4-3-5-14(16)2/h7-10,14H,3-6,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-16-/t14-/m1/s1
InChIKeyJUNGSZCLQZOFJL-XSOQZJFOSA-N
MW315.42 g/mol
LogP3.40
Rot. Bonds5

About N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide

N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide (PubChem CID 6941303) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
PubChem CID6941303
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)N/N=C2/CCCC[C@H]2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-7-9-15(10-8-13)19-17(22)11-12-18(23)21-20-16-6-4-3-5-14(16)2/h7-10,14H,3-6,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-16-/t14-/m1/s1
InChIKeyJUNGSZCLQZOFJL-XSOQZJFOSA-N
XLogP3.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(4-bromophenyl)-N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]butanediamide
CID 7346988
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9122678
2-(4-fluoroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[(2R)-2-methylcyclohexylidene]amino]butanediamide
CID 6989422
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929726
2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 51653651
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027524

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide (CID 6941303) is N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)N/N=C2/CCCC[C@H]2C)cc1.
What is the InChIKey of N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide?
The InChIKey is JUNGSZCLQZOFJL-XSOQZJFOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-9-15(10-8-13)19-17(22)11-12-18(23)21-20-16-6-4-3-5-14(16)2/h7-10,14H,3-6,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-16-/t14-/m1/s1.
What are the key properties of N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide?
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide has a molecular weight of 315.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 6941303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).