ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate

C21H30N2O4 — CID 109149492

IUPACethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)N(CC)CC)CC2)cc1
InChIInChI=1S/C21H30N2O4/c1-4-23(5-2)20(25)16-9-7-15(8-10-16)19(24)22-18-13-11-17(12-14-18)21(26)27-6-3/h11-16H,4-10H2,1-3H3,(H,22,24)
InChIKeyVJSQZUZJWUXXBL-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.48
Rot. Bonds7

About ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate

ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate (PubChem CID 109149492) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
PubChem CID109149492
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)N(CC)CC)CC2)cc1
InChIInChI=1S/C21H30N2O4/c1-4-23(5-2)20(25)16-9-7-15(8-10-16)19(24)22-18-13-11-17(12-14-18)21(26)27-6-3/h11-16H,4-10H2,1-3H3,(H,22,24)
InChIKeyVJSQZUZJWUXXBL-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085391
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 19630791
ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
2-ethylsulfanylethyl 4-(cyclopropanecarbonylamino)benzoate
CID 47362257
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 46669660
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate (CID 109149492) is ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)N(CC)CC)CC2)cc1.
What is the InChIKey of ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
The InChIKey is VJSQZUZJWUXXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-4-23(5-2)20(25)16-9-7-15(8-10-16)19(24)22-18-13-11-17(12-14-18)21(26)27-6-3/h11-16H,4-10H2,1-3H3,(H,22,24).
What are the key properties of ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate has a molecular weight of 374.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate is sourced from PubChem (CID 109149492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).