N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine

C30H48N2O3 — CID 143655301

IUPACN-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)C.CCc1ccc(C)cc1CN(C)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C21H27NO3.C9H21N/c1-6-15-8-7-14(4)9-16(15)12-22(5)21(25)18-10-17(13(2)3)19(23)11-20(18)24;1-5-7-10(8-6-2)9(3)4/h7-11,13,23-24H,6,12H2,1-5H3;9H,5-8H2,1-4H3
InChIKeyRWGTXWWKURNILE-UHFFFAOYSA-N
MW484.73 g/mol
LogP6.88
Rot. Bonds10

About N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine

N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine (PubChem CID 143655301) has the molecular formula C30H48N2O3 and a molecular weight of 484.73 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine
PubChem CID143655301
Molecular FormulaC30H48N2O3
Molecular Weight484.73 g/mol
Exact Mass484.37
IUPAC NameN-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)C.CCc1ccc(C)cc1CN(C)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C21H27NO3.C9H21N/c1-6-15-8-7-14(4)9-16(15)12-22(5)21(25)18-10-17(13(2)3)19(23)11-20(18)24;1-5-7-10(8-6-2)9(3)4/h7-11,13,23-24H,6,12H2,1-5H3;9H,5-8H2,1-4H3
InChIKeyRWGTXWWKURNILE-UHFFFAOYSA-N
XLogP6.88
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide
CID 155064659
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N-(2-chloroethyl)-2-hydroxy-4-methyl-N-propan-2-ylbenzamide
CID 63393752
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
CID 143307644
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;4-pentan-2-ylbenzene-1,3-diol
CID 143777978
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine?
The IUPAC name of 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) is N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine?
The canonical SMILES for N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine is CCCN(CCC)C(C)C.CCc1ccc(C)cc1CN(C)C(=O)c1cc(C(C)C)c(O)cc1O.
What is the InChIKey of N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine?
The InChIKey is RWGTXWWKURNILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.C9H21N/c1-6-15-8-7-14(4)9-16(15)12-22(5)21(25)18-10-17(13(2)3)19(23)11-20(18)24;1-5-7-10(8-6-2)9(3)4/h7-11,13,23-24H,6,12H2,1-5H3;9H,5-8H2,1-4H3.
What are the key properties of N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine?
N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine has a molecular weight of 484.73 g/mol, XLogP of 6.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 143655301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).