4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide

C20H25N3O3 — CID 54828140

IUPAC4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C20H25N3O3/c1-3-4-13-26-18-8-6-5-7-17(18)22-14-19(24)23-16-11-9-15(10-12-16)20(25)21-2/h5-12,22H,3-4,13-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyRMBBJOLZLCTLRS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.28
Rot. Bonds9

About 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide

4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54828140) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54828140
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C20H25N3O3/c1-3-4-13-26-18-8-6-5-7-17(18)22-14-19(24)23-16-11-9-15(10-12-16)20(25)21-2/h5-12,22H,3-4,13-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyRMBBJOLZLCTLRS-UHFFFAOYSA-N
XLogP3.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
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

2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
N-methyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823920
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54827216
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide (CID 54828140) is 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide is CCCCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is RMBBJOLZLCTLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-4-13-26-18-8-6-5-7-17(18)22-14-19(24)23-16-11-9-15(10-12-16)20(25)21-2/h5-12,22H,3-4,13-14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide?
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54828140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).