N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide

C16H24N2O3 — CID 54852807

IUPACN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide
SMILESNc1ccc(C(O)C(CO)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3/c17-13-8-6-11(7-9-13)15(20)14(10-19)18-16(21)12-4-2-1-3-5-12/h6-9,12,14-15,19-20H,1-5,10,17H2,(H,18,21)
InChIKeyKOKURKRTVCBPJO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.36
Rot. Bonds5

About N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide

N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide (PubChem CID 54852807) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide
PubChem CID54852807
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide
SMILESNc1ccc(C(O)C(CO)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3/c17-13-8-6-11(7-9-13)15(20)14(10-19)18-16(21)12-4-2-1-3-5-12/h6-9,12,14-15,19-20H,1-5,10,17H2,(H,18,21)
InChIKeyKOKURKRTVCBPJO-UHFFFAOYSA-N
XLogP1.36
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide (CID 54852807) is N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide is Nc1ccc(C(O)C(CO)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide?
The InChIKey is KOKURKRTVCBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-13-8-6-11(7-9-13)15(20)14(10-19)18-16(21)12-4-2-1-3-5-12/h6-9,12,14-15,19-20H,1-5,10,17H2,(H,18,21).
What are the key properties of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide?
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 54852807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).