N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide

C17H25NO2 — CID 90337055

IUPACN-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide
SMILES[2H]C([2H])(C)CC(O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-2-7-16(19)14-10-6-11-15(12-14)18-17(20)13-8-4-3-5-9-13/h6,10-13,16,19H,2-5,7-9H2,1H3,(H,18,20)/i2D2
InChIKeyZRYZMVPFCDMBTN-CBTSVUPCSA-N
MW277.40 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide

N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide (PubChem CID 90337055) has the molecular formula C17H25NO2 and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide
PubChem CID90337055
Molecular FormulaC17H25NO2
Molecular Weight277.40 g/mol
Exact Mass277.20
IUPAC NameN-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide
SMILES[2H]C([2H])(C)CC(O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-2-7-16(19)14-10-6-11-15(12-14)18-17(20)13-8-4-3-5-9-13/h6,10-13,16,19H,2-5,7-9H2,1H3,(H,18,20)/i2D2
InChIKeyZRYZMVPFCDMBTN-CBTSVUPCSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 68644459
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide (CID 90337055) is N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide is [2H]C([2H])(C)CC(O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide?
The InChIKey is ZRYZMVPFCDMBTN-CBTSVUPCSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-7-16(19)14-10-6-11-15(12-14)18-17(20)13-8-4-3-5-9-13/h6,10-13,16,19H,2-5,7-9H2,1H3,(H,18,20)/i2D2.
What are the key properties of N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide?
N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide has a molecular weight of 277.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 90337055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).