2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid

C15H28N2O4 — CID 64700480

IUPAC2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
SMILESCCCCN(CCO)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O4/c1-2-3-9-17(10-11-18)14(21)16-15(12-13(19)20)7-5-4-6-8-15/h18H,2-12H2,1H3,(H,16,21)(H,19,20)
InChIKeyJOIMOHMHEXRHJC-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.97
Rot. Bonds8

About 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid

2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid (PubChem CID 64700480) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
PubChem CID64700480
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
SMILESCCCCN(CCO)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O4/c1-2-3-9-17(10-11-18)14(21)16-15(12-13(19)20)7-5-4-6-8-15/h18H,2-12H2,1H3,(H,16,21)(H,19,20)
InChIKeyJOIMOHMHEXRHJC-UHFFFAOYSA-N
XLogP1.97
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842452
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 102865457
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846504
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid (CID 64700480) is 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid is CCCCN(CCO)C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid?
The InChIKey is JOIMOHMHEXRHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-9-17(10-11-18)14(21)16-15(12-13(19)20)7-5-4-6-8-15/h18H,2-12H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid?
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).