1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C14H26N2O4 — CID 115442992

IUPAC1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCCN(CCO)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O4/c1-3-16(8-9-17)13(20)15-10-14(12(18)19)6-4-11(2)5-7-14/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyMSMILQYGAIEUDZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds6

About 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115442992) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115442992
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCCN(CCO)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O4/c1-3-16(8-9-17)13(20)15-10-14(12(18)19)6-4-11(2)5-7-14/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyMSMILQYGAIEUDZ-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443056
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441031
4-methyl-1-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442989
1-[[[ethyl(2-methylpropyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451233
1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451479
1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451439
1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107481926
4-methyl-1-[(2-methylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115443043
1-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442563

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115442992) is 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CCN(CCO)C(=O)NCC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MSMILQYGAIEUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-16(8-9-17)13(20)15-10-14(12(18)19)6-4-11(2)5-7-14/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115442992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).