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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Related Compounds

cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide
CID 159352897
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 22261959
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 54852716
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
CID 6926645
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793

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).