2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid

C15H28N2O4 — CID 22280842

IUPAC2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(CCC1CCC(C(=O)N(C)CCCO)CC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-16(9-3-11-18)14(19)13-6-4-12(5-7-13)8-10-17(2)15(20)21/h12-13,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyKLEVWRUFUYXMSJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.63
Rot. Bonds7

About 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid

2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid (PubChem CID 22280842) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
PubChem CID22280842
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(CCC1CCC(C(=O)N(C)CCCO)CC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-16(9-3-11-18)14(19)13-6-4-12(5-7-13)8-10-17(2)15(20)21/h12-13,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyKLEVWRUFUYXMSJ-UHFFFAOYSA-N
XLogP1.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid (CID 22280842) is 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid is CN(CCC1CCC(C(=O)N(C)CCCO)CC1)C(=O)O.
What is the InChIKey of 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
The InChIKey is KLEVWRUFUYXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-16(9-3-11-18)14(19)13-6-4-12(5-7-13)8-10-17(2)15(20)21/h12-13,18H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid has a molecular weight of 300.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid is sourced from PubChem (CID 22280842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).