N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide

C17H27NO3 — CID 71325382

IUPACN-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide
SMILESCOc1ccc(O)c(C(C)(C)CCCC(C)NC(C)=O)c1
InChIInChI=1S/C17H27NO3/c1-12(18-13(2)19)7-6-10-17(3,4)15-11-14(21-5)8-9-16(15)20/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyKOWHAWZATURJTE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.37
Rot. Bonds7

About N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide

N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide (PubChem CID 71325382) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide
PubChem CID71325382
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide
SMILESCOc1ccc(O)c(C(C)(C)CCCC(C)NC(C)=O)c1
InChIInChI=1S/C17H27NO3/c1-12(18-13(2)19)7-6-10-17(3,4)15-11-14(21-5)8-9-16(15)20/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyKOWHAWZATURJTE-UHFFFAOYSA-N
XLogP3.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
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[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 18201495
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154383350
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
2-acetamido-3-(4-methoxy-2-methylanilino)propanoic acid
CID 64582681

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide?
The IUPAC name of N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide (CID 71325382) is N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide?
The canonical SMILES for N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide is COc1ccc(O)c(C(C)(C)CCCC(C)NC(C)=O)c1.
What is the InChIKey of N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide?
The InChIKey is KOWHAWZATURJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18-13(2)19)7-6-10-17(3,4)15-11-14(21-5)8-9-16(15)20/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,18,19).
What are the key properties of N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide?
N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 71325382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).