4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 79524949

IUPAC4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NCC1CCC(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(14-5-3-2-4-6-14)16(21)17-11-12-7-9-13(10-8-12)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyMDCUOJYWTZAEKG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79524949) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79524949
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NCC1CCC(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(14-5-3-2-4-6-14)16(21)17-11-12-7-9-13(10-8-12)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyMDCUOJYWTZAEKG-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 108912761
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CID 108902822
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 102865464
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
4-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107400130
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526469
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731

Frequently Asked Questions

What is the IUPAC name of 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79524949) is 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(C(=O)NCC1CCC(C(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MDCUOJYWTZAEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-18(14-5-3-2-4-6-14)16(21)17-11-12-7-9-13(10-8-12)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79524949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).