3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

C23H31N3O4 — CID 54825060

IUPAC3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCCOC)c2)c1
InChIInChI=1S/C23H31N3O4/c1-3-4-14-30-21-11-6-9-19(16-21)25-17-22(27)26-20-10-5-8-18(15-20)23(28)24-12-7-13-29-2/h5-6,8-11,15-16,25H,3-4,7,12-14,17H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVFJKHDXKXHOVLU-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.68
Rot. Bonds13

About 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54825060) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54825060
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCCOC)c2)c1
InChIInChI=1S/C23H31N3O4/c1-3-4-14-30-21-11-6-9-19(16-21)25-17-22(27)26-20-10-5-8-18(15-20)23(28)24-12-7-13-29-2/h5-6,8-11,15-16,25H,3-4,7,12-14,17H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVFJKHDXKXHOVLU-UHFFFAOYSA-N
XLogP3.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54825060) is 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is CCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCCOC)c2)c1.
What is the InChIKey of 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is VFJKHDXKXHOVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-4-14-30-21-11-6-9-19(16-21)25-17-22(27)26-20-10-5-8-18(15-20)23(28)24-12-7-13-29-2/h5-6,8-11,15-16,25H,3-4,7,12-14,17H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.68, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54825060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).