N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide

C20H29N3O2 — CID 2875428

IUPACN'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O2/c1-14(15-8-6-5-7-9-15)21-18(24)19(25)23-22-17-12-10-16(11-13-17)20(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,21,24)(H,23,25)/b22-17-
InChIKeyIILMFQZQDQIKKF-XLNRJJMWSA-N
MW343.47 g/mol
LogP3.57
Rot. Bonds3

About N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide

N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide (PubChem CID 2875428) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide
PubChem CID2875428
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O2/c1-14(15-8-6-5-7-9-15)21-18(24)19(25)23-22-17-12-10-16(11-13-17)20(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,21,24)(H,23,25)/b22-17-
InChIKeyIILMFQZQDQIKKF-XLNRJJMWSA-N
XLogP3.57
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
CID 3113987
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
N-benzyl-2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetamide
CID 16189572
N-benzyl-2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxoacetamide
CID 2854714
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833
N-(diphenylmethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4916030
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-(1-phenylethyl)acetamide
CID 5070821

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide (CID 2875428) is N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide?
The InChIKey is IILMFQZQDQIKKF-XLNRJJMWSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(15-8-6-5-7-9-15)21-18(24)19(25)23-22-17-12-10-16(11-13-17)20(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,21,24)(H,23,25)/b22-17-.
What are the key properties of N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide?
N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide has a molecular weight of 343.47 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylcyclohexylidene)amino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 2875428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).