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

C19H28N2O — CID 4149734

IUPACN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c1-4-19(2,3)16-10-12-17(13-11-16)20-21-18(22)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,21,22)/b20-17-
InChIKeyBYONWKBKYFXQSP-JZJYNLBNSA-N
MW300.45 g/mol
LogP4.33
Rot. Bonds5

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

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide (PubChem CID 4149734) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide
PubChem CID4149734
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c1-4-19(2,3)16-10-12-17(13-11-16)20-21-18(22)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,21,22)/b20-17-
InChIKeyBYONWKBKYFXQSP-JZJYNLBNSA-N
XLogP4.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide (CID 4149734) is N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide is CCC(C)(C)C1CCC(=NNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide?
The InChIKey is BYONWKBKYFXQSP-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-19(2,3)16-10-12-17(13-11-16)20-21-18(22)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,21,22)/b20-17-.
What are the key properties of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide?
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide has a molecular weight of 300.45 g/mol, XLogP of 4.33, 5 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]-2-phenylacetamide is sourced from PubChem (CID 4149734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).