N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C24H32N4O4 — CID 54844318

IUPACN-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C24H32N4O4/c1-24(2,3)28-23(31)18-7-5-8-20(15-18)26-16-21(29)27-19-11-9-17(10-12-19)22(30)25-13-6-14-32-4/h5,7-12,15,26H,6,13-14,16H2,1-4H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyGPERHRPKIMNOIP-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.03
Rot. Bonds10

About N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54844318) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54844318
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C24H32N4O4/c1-24(2,3)28-23(31)18-7-5-8-20(15-18)26-16-21(29)27-19-11-9-17(10-12-19)22(30)25-13-6-14-32-4/h5,7-12,15,26H,6,13-14,16H2,1-4H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyGPERHRPKIMNOIP-UHFFFAOYSA-N
XLogP3.03
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833624
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842282

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54844318) is N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is GPERHRPKIMNOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-24(2,3)28-23(31)18-7-5-8-20(15-18)26-16-21(29)27-19-11-9-17(10-12-19)22(30)25-13-6-14-32-4/h5,7-12,15,26H,6,13-14,16H2,1-4H3,(H,25,30)(H,27,29)(H,28,31).
What are the key properties of N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 440.54 g/mol, XLogP of 3.03, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).