3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H27NO4 — CID 63784695

IUPAC3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOCCN(C(=O)C1CCCC(C(=O)O)C1)C(C)C1CC1
InChIInChI=1S/C16H27NO4/c1-11(12-6-7-12)17(8-9-21-2)15(18)13-4-3-5-14(10-13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyBFOKQOWXDZOARU-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.15
Rot. Bonds7

About 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784695) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784695
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOCCN(C(=O)C1CCCC(C(=O)O)C1)C(C)C1CC1
InChIInChI=1S/C16H27NO4/c1-11(12-6-7-12)17(8-9-21-2)15(18)13-4-3-5-14(10-13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyBFOKQOWXDZOARU-UHFFFAOYSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
(3R)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81129096
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960840
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784008
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
CID 54875337
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 116655031
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065274
3-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550455

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63784695) is 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid is COCCN(C(=O)C1CCCC(C(=O)O)C1)C(C)C1CC1.
What is the InChIKey of 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BFOKQOWXDZOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-11(12-6-7-12)17(8-9-21-2)15(18)13-4-3-5-14(10-13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).