N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide

C34H53N3O4 — CID 24768772

IUPACN-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(OCCCC(C(=O)Nc2c(C)cccc2C)N(CC)CCC)c1
InChIInChI=1S/C34H53N3O4/c1-6-9-10-11-12-13-19-32(39)35-25-28-20-21-30(38)31(24-28)41-23-15-18-29(37(8-3)22-7-2)34(40)36-33-26(4)16-14-17-27(33)5/h14,16-17,20-21,24,29,38H,6-13,15,18-19,22-23,25H2,1-5H3,(H,35,39)(H,36,40)
InChIKeySAGZEGKXJBYFCY-UHFFFAOYSA-N
MW567.82 g/mol
LogP7.27
Rot. Bonds20

About N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide

N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide (PubChem CID 24768772) has the molecular formula C34H53N3O4 and a molecular weight of 567.82 g/mol. Its IUPAC name is N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide.

Molecular Properties

Compound NameN-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide
PubChem CID24768772
Molecular FormulaC34H53N3O4
Molecular Weight567.82 g/mol
Exact Mass567.40
IUPAC NameN-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(OCCCC(C(=O)Nc2c(C)cccc2C)N(CC)CCC)c1
InChIInChI=1S/C34H53N3O4/c1-6-9-10-11-12-13-19-32(39)35-25-28-20-21-30(38)31(24-28)41-23-15-18-29(37(8-3)22-7-2)34(40)36-33-26(4)16-14-17-27(33)5/h14,16-17,20-21,24,29,38H,6-13,15,18-19,22-23,25H2,1-5H3,(H,35,39)(H,36,40)
InChIKeySAGZEGKXJBYFCY-UHFFFAOYSA-N
XLogP7.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.82
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide with MolForge

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Related Compounds

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 68814449
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
CID 145255020
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
CID 75989741
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
CID 14392586
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
CID 59870453
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
CID 24848052

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide?
The IUPAC name of N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide (CID 24768772) is N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide.
What is the SMILES notation for N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide?
The canonical SMILES for N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(O)c(OCCCC(C(=O)Nc2c(C)cccc2C)N(CC)CCC)c1.
What is the InChIKey of N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide?
The InChIKey is SAGZEGKXJBYFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N3O4/c1-6-9-10-11-12-13-19-32(39)35-25-28-20-21-30(38)31(24-28)41-23-15-18-29(37(8-3)22-7-2)34(40)36-33-26(4)16-14-17-27(33)5/h14,16-17,20-21,24,29,38H,6-13,15,18-19,22-23,25H2,1-5H3,(H,35,39)(H,36,40).
What are the key properties of N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide?
N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide has a molecular weight of 567.82 g/mol, XLogP of 7.27, 20 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide is sourced from PubChem (CID 24768772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).