N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide

C25H44N2O4 — CID 10048678

IUPACN-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(OCC(O)CNCC(C)CC)c(OC)c1
InChIInChI=1S/C25H44N2O4/c1-5-7-8-9-10-11-12-25(29)27-17-21-13-14-23(24(15-21)30-4)31-19-22(28)18-26-16-20(3)6-2/h13-15,20,22,26,28H,5-12,16-19H2,1-4H3,(H,27,29)
InChIKeyQSGYVOGLSHQMTR-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.44
Rot. Bonds18

About N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide

N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide (PubChem CID 10048678) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide.

Molecular Properties

Compound NameN-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide
PubChem CID10048678
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC NameN-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(OCC(O)CNCC(C)CC)c(OC)c1
InChIInChI=1S/C25H44N2O4/c1-5-7-8-9-10-11-12-25(29)27-17-21-13-14-23(24(15-21)30-4)31-19-22(28)18-26-16-20(3)6-2/h13-15,20,22,26,28H,5-12,16-19H2,1-4H3,(H,27,29)
InChIKeyQSGYVOGLSHQMTR-UHFFFAOYSA-N
XLogP4.44
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
CID 67825156
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791036
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
[2-acetyloxy-4-[(octanoylamino)methyl]phenyl] acetate
CID 163214286
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 54514212
(2S)-1-[4-(butylaminomethyl)-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 25382567

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide?
The IUPAC name of N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide (CID 10048678) is N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide.
What is the SMILES notation for N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide?
The canonical SMILES for N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(OCC(O)CNCC(C)CC)c(OC)c1.
What is the InChIKey of N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide?
The InChIKey is QSGYVOGLSHQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O4/c1-5-7-8-9-10-11-12-25(29)27-17-21-13-14-23(24(15-21)30-4)31-19-22(28)18-26-16-20(3)6-2/h13-15,20,22,26,28H,5-12,16-19H2,1-4H3,(H,27,29).
What are the key properties of N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide?
N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide has a molecular weight of 436.64 g/mol, XLogP of 4.44, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide is sourced from PubChem (CID 10048678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).