4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide

C18H27NO3 — CID 167901713

IUPAC4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide
SMILESCc1cc(O)c(C(C)C)cc1C(=O)N(C)CC1(C)CCCO1
InChIInChI=1S/C18H27NO3/c1-12(2)14-10-15(13(3)9-16(14)20)17(21)19(5)11-18(4)7-6-8-22-18/h9-10,12,20H,6-8,11H2,1-5H3
InChIKeyPFASQSCDIQWXDA-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.47
Rot. Bonds4

About 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide

4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide (PubChem CID 167901713) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide
PubChem CID167901713
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide
SMILESCc1cc(O)c(C(C)C)cc1C(=O)N(C)CC1(C)CCCO1
InChIInChI=1S/C18H27NO3/c1-12(2)14-10-15(13(3)9-16(14)20)17(21)19(5)11-18(4)7-6-8-22-18/h9-10,12,20H,6-8,11H2,1-5H3
InChIKeyPFASQSCDIQWXDA-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide
CID 155064659
2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 75386664
N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine
CID 143655301
[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 143655168
4-(ethylamino)-6-methyl-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245640
2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide
CID 99990665
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
ethyl 2-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 117378873

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide (CID 167901713) is 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide is Cc1cc(O)c(C(C)C)cc1C(=O)N(C)CC1(C)CCCO1.
What is the InChIKey of 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide?
The InChIKey is PFASQSCDIQWXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)14-10-15(13(3)9-16(14)20)17(21)19(5)11-18(4)7-6-8-22-18/h9-10,12,20H,6-8,11H2,1-5H3.
What are the key properties of 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide?
4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 167901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).