N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide

C21H25NO3 — CID 45243515

IUPACN-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
SMILESO=C(CC(c1cccc(O)c1)c1ccccc1O)NC1CCCCC1
InChIInChI=1S/C21H25NO3/c23-17-10-6-7-15(13-17)19(18-11-4-5-12-20(18)24)14-21(25)22-16-8-2-1-3-9-16/h4-7,10-13,16,19,23-24H,1-3,8-9,14H2,(H,22,25)
InChIKeyHIHBUXHTWXOKOO-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.07
Rot. Bonds5

About N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide

N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide (PubChem CID 45243515) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
PubChem CID45243515
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
SMILESO=C(CC(c1cccc(O)c1)c1ccccc1O)NC1CCCCC1
InChIInChI=1S/C21H25NO3/c23-17-10-6-7-15(13-17)19(18-11-4-5-12-20(18)24)14-21(25)22-16-8-2-1-3-9-16/h4-7,10-13,16,19,23-24H,1-3,8-9,14H2,(H,22,25)
InChIKeyHIHBUXHTWXOKOO-UHFFFAOYSA-N
XLogP4.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2952080
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(3S)-N-cyclopentyl-3-phenylbutanamide
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1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
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3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
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N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide?
The IUPAC name of N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide (CID 45243515) is N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide is O=C(CC(c1cccc(O)c1)c1ccccc1O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide?
The InChIKey is HIHBUXHTWXOKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c23-17-10-6-7-15(13-17)19(18-11-4-5-12-20(18)24)14-21(25)22-16-8-2-1-3-9-16/h4-7,10-13,16,19,23-24H,1-3,8-9,14H2,(H,22,25).
What are the key properties of N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide?
N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 45243515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).