ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate

C26H33NO4 — CID 100745624

IUPACethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
SMILESCCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C
InChIInChI=1S/C26H33NO4/c1-5-30-24(28)22-17-21(13-14-23(22)31-18(2)3)27-25(29)26(15-7-6-8-16-26)20-11-9-19(4)10-12-20/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,27,29)
InChIKeyOUYBHIYTNCQRCZ-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.80
Rot. Bonds7

About ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate

ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate (PubChem CID 100745624) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Nameethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
PubChem CID100745624
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Nameethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
SMILESCCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C
InChIInChI=1S/C26H33NO4/c1-5-30-24(28)22-17-21(13-14-23(22)31-18(2)3)27-25(29)26(15-7-6-8-16-26)20-11-9-19(4)10-12-20/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,27,29)
InChIKeyOUYBHIYTNCQRCZ-UHFFFAOYSA-N
XLogP5.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate with MolForge

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Related Compounds

ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
ethyl 5-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100719321
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100746593
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
ethyl 5-[(1-ethoxycycloheptanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100762130
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
methyl 2-[(2R)-butan-2-yl]oxy-5-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100747453
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
ethyl 2-butan-2-yloxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 133229622
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 133246498
ethyl 2-[(2S)-butan-2-yl]oxy-5-[(1-methoxycyclohexanecarbonyl)amino]benzoate
CID 100756258

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate?
The IUPAC name of ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate (CID 100745624) is ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate.
What is the SMILES notation for ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate?
The canonical SMILES for ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate is CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C.
What is the InChIKey of ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate?
The InChIKey is OUYBHIYTNCQRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-5-30-24(28)22-17-21(13-14-23(22)31-18(2)3)27-25(29)26(15-7-6-8-16-26)20-11-9-19(4)10-12-20/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,27,29).
What are the key properties of ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate?
ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate has a molecular weight of 423.55 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate is sourced from PubChem (CID 100745624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).