ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate

C20H30N2O3 — CID 42698446

IUPACethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)Nc1ccc(CC)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-3-16-10-12-17(13-11-16)21-20(24)22(15-14-19(23)25-4-2)18-8-6-5-7-9-18/h10-13,18H,3-9,14-15H2,1-2H3,(H,21,24)
InChIKeyOYNWMIZQWGHKFE-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.37
Rot. Bonds7

About ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate

ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate (PubChem CID 42698446) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
PubChem CID42698446
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nameethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)Nc1ccc(CC)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-3-16-10-12-17(13-11-16)21-20(24)22(15-14-19(23)25-4-2)18-8-6-5-7-9-18/h10-13,18H,3-9,14-15H2,1-2H3,(H,21,24)
InChIKeyOYNWMIZQWGHKFE-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42697074
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
ethyl 4-[acetyl-[3-(4-ethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122175
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
ethyl 3-(N-(3-ethoxy-3-oxopropyl)-4-ethylanilino)propanoate
CID 102182276
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
ethyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711023
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530
3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102865027
4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid
CID 4095855
N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060062

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate?
The IUPAC name of ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate (CID 42698446) is ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate is CCOC(=O)CCN(C(=O)Nc1ccc(CC)cc1)C1CCCCC1.
What is the InChIKey of ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate?
The InChIKey is OYNWMIZQWGHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-16-10-12-17(13-11-16)21-20(24)22(15-14-19(23)25-4-2)18-8-6-5-7-9-18/h10-13,18H,3-9,14-15H2,1-2H3,(H,21,24).
What are the key properties of ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate?
ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate has a molecular weight of 346.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 42698446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).