(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide

C19H28N2O2 — CID 958705

IUPAC(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)15-10-12-16(13-11-15)20-21-18(22)17(23-4)14-8-6-5-7-9-14/h5-9,15,17H,10-13H2,1-4H3,(H,21,22)/b20-16-/t15?,17-/m0/s1
InChIKeyXBIYQCWFBGTBOM-CHBOIKCPSA-N
MW316.44 g/mol
LogP4.08
Rot. Bonds4

About (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide

(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide (PubChem CID 958705) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
PubChem CID958705
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)15-10-12-16(13-11-15)20-21-18(22)17(23-4)14-8-6-5-7-9-14/h5-9,15,17H,10-13H2,1-4H3,(H,21,22)/b20-16-/t15?,17-/m0/s1
InChIKeyXBIYQCWFBGTBOM-CHBOIKCPSA-N
XLogP4.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
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-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 3974139
(2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
CID 749864
2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 62099240
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
CID 4248848
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2875504
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methoxy-2-phenylacetamide
CID 71941313
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide (CID 958705) is (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide?
The InChIKey is XBIYQCWFBGTBOM-CHBOIKCPSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)15-10-12-16(13-11-15)20-21-18(22)17(23-4)14-8-6-5-7-9-14/h5-9,15,17H,10-13H2,1-4H3,(H,21,22)/b20-16-/t15?,17-/m0/s1.
What are the key properties of (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide?
(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide has a molecular weight of 316.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 958705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).