N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide

C18H29NO3 — CID 22105026

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-4-5-6-7-8-9-10-18(21)19(2)14-15-11-12-16(20)17(13-15)22-3/h11-13,20H,4-10,14H2,1-3H3
InChIKeyIQAOGKOVHFGCJC-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.11
Rot. Bonds10

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide (PubChem CID 22105026) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide
PubChem CID22105026
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-4-5-6-7-8-9-10-18(21)19(2)14-15-11-12-16(20)17(13-15)22-3/h11-13,20H,4-10,14H2,1-3H3
InChIKeyIQAOGKOVHFGCJC-UHFFFAOYSA-N
XLogP4.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide (CID 22105026) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide is CCCCCCCCC(=O)N(C)Cc1ccc(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide?
The InChIKey is IQAOGKOVHFGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-5-6-7-8-9-10-18(21)19(2)14-15-11-12-16(20)17(13-15)22-3/h11-13,20H,4-10,14H2,1-3H3.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide has a molecular weight of 307.43 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide is sourced from PubChem (CID 22105026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).