N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide

C20H25NO3 — CID 111423693

IUPACN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2cccc(OC(C)C)c2)c(C)c1
InChIInChI=1S/C20H25NO3/c1-13(2)24-17-7-5-6-16(11-17)19(22)12-21-20(23)18-9-8-14(3)10-15(18)4/h5-11,13,19,22H,12H2,1-4H3,(H,21,23)
InChIKeyFCNSIEOKBJYKNZ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.55
Rot. Bonds6

About N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide (PubChem CID 111423693) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
PubChem CID111423693
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2cccc(OC(C)C)c2)c(C)c1
InChIInChI=1S/C20H25NO3/c1-13(2)24-17-7-5-6-16(11-17)19(22)12-21-20(23)18-9-8-14(3)10-15(18)4/h5-11,13,19,22H,12H2,1-4H3,(H,21,23)
InChIKeyFCNSIEOKBJYKNZ-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 97068294
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 111423702
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111423659

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide (CID 111423693) is N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(O)c2cccc(OC(C)C)c2)c(C)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide?
The InChIKey is FCNSIEOKBJYKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)24-17-7-5-6-16(11-17)19(22)12-21-20(23)18-9-8-14(3)10-15(18)4/h5-11,13,19,22H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide?
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 111423693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).