4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide

C24H31N3O4 — CID 26713846

IUPAC4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H31N3O4/c1-5-6-11-31-20-9-7-19(8-10-20)24(30)26-14-21(28)25-15-22(29)27-23-17(3)12-16(2)13-18(23)4/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyUHVFCROZWCFKKU-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.28
Rot. Bonds10

About 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide

4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide (PubChem CID 26713846) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
PubChem CID26713846
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H31N3O4/c1-5-6-11-31-20-9-7-19(8-10-20)24(30)26-14-21(28)25-15-22(29)27-23-17(3)12-16(2)13-18(23)4/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyUHVFCROZWCFKKU-UHFFFAOYSA-N
XLogP3.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 55774179
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55305949
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide (CID 26713846) is 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide?
The InChIKey is UHVFCROZWCFKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-5-6-11-31-20-9-7-19(8-10-20)24(30)26-14-21(28)25-15-22(29)27-23-17(3)12-16(2)13-18(23)4/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide?
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 26713846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).