4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide

C24H34N2O8 — CID 138592054

IUPAC4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide
SMILESCOc1cc(CN(CCCC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H34N2O8/c1-29-18-10-16(11-19(30-2)23(18)33-5)14-26(9-7-8-22(27)25-28)15-17-12-20(31-3)24(34-6)21(13-17)32-4/h10-13,28H,7-9,14-15H2,1-6H3,(H,25,27)
InChIKeyMVVNSIVPXVWZNC-UHFFFAOYSA-N
MW478.54 g/mol
LogP3.03
Rot. Bonds14

About 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide

4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide (PubChem CID 138592054) has the molecular formula C24H34N2O8 and a molecular weight of 478.54 g/mol. Its IUPAC name is 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide
PubChem CID138592054
Molecular FormulaC24H34N2O8
Molecular Weight478.54 g/mol
Exact Mass478.23
IUPAC Name4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide
SMILESCOc1cc(CN(CCCC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H34N2O8/c1-29-18-10-16(11-19(30-2)23(18)33-5)14-26(9-7-8-22(27)25-28)15-17-12-20(31-3)24(34-6)21(13-17)32-4/h10-13,28H,7-9,14-15H2,1-6H3,(H,25,27)
InChIKeyMVVNSIVPXVWZNC-UHFFFAOYSA-N
XLogP3.03
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
heptyl 2-[2-[(2-heptoxy-2-oxoethyl)-[(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetate
CID 10604988
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
CID 87545769
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
CID 113222024
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807

Frequently Asked Questions

What is the IUPAC name of 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide?
The IUPAC name of 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide (CID 138592054) is 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide.
What is the SMILES notation for 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide?
The canonical SMILES for 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide is COc1cc(CN(CCCC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide?
The InChIKey is MVVNSIVPXVWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O8/c1-29-18-10-16(11-19(30-2)23(18)33-5)14-26(9-7-8-22(27)25-28)15-17-12-20(31-3)24(34-6)21(13-17)32-4/h10-13,28H,7-9,14-15H2,1-6H3,(H,25,27).
What are the key properties of 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide?
4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide has a molecular weight of 478.54 g/mol, XLogP of 3.03, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide is sourced from PubChem (CID 138592054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).