N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide

C20H32N2O2 — CID 70892473

IUPACN-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(O)c1cccc(NC(=O)C2CCC(NC(C)C(C)C)CC2)c1
InChIInChI=1S/C20H32N2O2/c1-13(2)14(3)21-18-10-8-16(9-11-18)20(24)22-19-7-5-6-17(12-19)15(4)23/h5-7,12-16,18,21,23H,8-11H2,1-4H3,(H,22,24)
InChIKeyZIZIFXKWAWVGOM-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.87
Rot. Bonds6

About N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 70892473) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID70892473
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(O)c1cccc(NC(=O)C2CCC(NC(C)C(C)C)CC2)c1
InChIInChI=1S/C20H32N2O2/c1-13(2)14(3)21-18-10-8-16(9-11-18)20(24)22-19-7-5-6-17(12-19)15(4)23/h5-7,12-16,18,21,23H,8-11H2,1-4H3,(H,22,24)
InChIKeyZIZIFXKWAWVGOM-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide (CID 70892473) is N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide is CC(O)c1cccc(NC(=O)C2CCC(NC(C)C(C)C)CC2)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is ZIZIFXKWAWVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(2)14(3)21-18-10-8-16(9-11-18)20(24)22-19-7-5-6-17(12-19)15(4)23/h5-7,12-16,18,21,23H,8-11H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-4-(3-methylbutan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 70892473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).