N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide

C21H36N2O2 — CID 67659751

IUPACN-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(CCN(C)C)c(OC)c1
InChIInChI=1S/C21H36N2O2/c1-5-6-7-8-9-10-11-21(24)22-17-18-12-13-19(14-15-23(2)3)20(16-18)25-4/h12-13,16H,5-11,14-15,17H2,1-4H3,(H,22,24)
InChIKeyYTFKWKGKAPPYSP-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.17
Rot. Bonds13

About N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide

N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide (PubChem CID 67659751) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide
PubChem CID67659751
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(CCN(C)C)c(OC)c1
InChIInChI=1S/C21H36N2O2/c1-5-6-7-8-9-10-11-21(24)22-17-18-12-13-19(14-15-23(2)3)20(16-18)25-4/h12-13,16H,5-11,14-15,17H2,1-4H3,(H,22,24)
InChIKeyYTFKWKGKAPPYSP-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.17
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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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
[2-acetyloxy-4-[(octanoylamino)methyl]phenyl] acetate
CID 163214286
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
(Z)-N-[[4-(2-aminoethylsulfanyl)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 67825540
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
CID 68817622
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide (CID 67659751) is N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(CCN(C)C)c(OC)c1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide?
The InChIKey is YTFKWKGKAPPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-5-6-7-8-9-10-11-21(24)22-17-18-12-13-19(14-15-23(2)3)20(16-18)25-4/h12-13,16H,5-11,14-15,17H2,1-4H3,(H,22,24).
What are the key properties of N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide?
N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide has a molecular weight of 348.53 g/mol, XLogP of 4.17, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide is sourced from PubChem (CID 67659751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).