[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid

C16H32N2O4 — CID 22568053

IUPAC[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid
SMILESCCN(CCO)CCCCOC1CCC(CNC(=O)O)CC1
InChIInChI=1S/C16H32N2O4/c1-2-18(10-11-19)9-3-4-12-22-15-7-5-14(6-8-15)13-17-16(20)21/h14-15,17,19H,2-13H2,1H3,(H,20,21)
InChIKeySALYEAZMXZFIOL-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.92
Rot. Bonds11

About [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid

[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid (PubChem CID 22568053) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid
PubChem CID22568053
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid
SMILESCCN(CCO)CCCCOC1CCC(CNC(=O)O)CC1
InChIInChI=1S/C16H32N2O4/c1-2-18(10-11-19)9-3-4-12-22-15-7-5-14(6-8-15)13-17-16(20)21/h14-15,17,19H,2-13H2,1H3,(H,20,21)
InChIKeySALYEAZMXZFIOL-UHFFFAOYSA-N
XLogP1.92
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid (CID 22568053) is [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid is CCN(CCO)CCCCOC1CCC(CNC(=O)O)CC1.
What is the InChIKey of [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid?
The InChIKey is SALYEAZMXZFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-2-18(10-11-19)9-3-4-12-22-15-7-5-14(6-8-15)13-17-16(20)21/h14-15,17,19H,2-13H2,1H3,(H,20,21).
What are the key properties of [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid?
[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid has a molecular weight of 316.44 g/mol, XLogP of 1.92, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 22568053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).