methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate

C20H30N2O3 — CID 42697074

IUPACmethyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
SMILESCOC(=O)CCN(C(=O)Nc1ccc(C(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-15(2)16-9-11-17(12-10-16)21-20(24)22(14-13-19(23)25-3)18-7-5-4-6-8-18/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeyMMFRHNKESDNYLD-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.54
Rot. Bonds6

About methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate

methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate (PubChem CID 42697074) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
PubChem CID42697074
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namemethyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
SMILESCOC(=O)CCN(C(=O)Nc1ccc(C(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-15(2)16-9-11-17(12-10-16)21-20(24)22(14-13-19(23)25-3)18-7-5-4-6-8-18/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeyMMFRHNKESDNYLD-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate with MolForge

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Related Compounds

3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
CID 42698446
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate?
The IUPAC name of methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate (CID 42697074) is methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate is COC(=O)CCN(C(=O)Nc1ccc(C(C)C)cc1)C1CCCCC1.
What is the InChIKey of methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate?
The InChIKey is MMFRHNKESDNYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)16-9-11-17(12-10-16)21-20(24)22(14-13-19(23)25-3)18-7-5-4-6-8-18/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,24).
What are the key properties of methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate?
methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate has a molecular weight of 346.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 42697074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).