2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide

C19H23N3O3 — CID 54811984

IUPAC2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-12-25-15-10-8-14(9-11-15)22-18(23)13-21-17-7-5-4-6-16(17)19(20)24/h4-11,21H,2-3,12-13H2,1H3,(H2,20,24)(H,22,23)
InChIKeyOAQUAZBZRPBBPX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds9

About 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide

2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54811984) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID54811984
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-12-25-15-10-8-14(9-11-15)22-18(23)13-21-17-7-5-4-6-16(17)19(20)24/h4-11,21H,2-3,12-13H2,1H3,(H2,20,24)(H,22,23)
InChIKeyOAQUAZBZRPBBPX-UHFFFAOYSA-N
XLogP3.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.02
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-propoxyphenyl)acetamide
CID 54828232
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
CID 54828856
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54811936
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
CID 54839857
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide (CID 54811984) is 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide is CCCCOc1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is OAQUAZBZRPBBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-3-12-25-15-10-8-14(9-11-15)22-18(23)13-21-17-7-5-4-6-16(17)19(20)24/h4-11,21H,2-3,12-13H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide?
2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54811984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).