N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide

C20H25N3O2 — CID 54810805

IUPACN-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2cccc(C)c2)c1
InChIInChI=1S/C20H25N3O2/c1-3-4-11-21-20(25)16-8-6-10-18(13-16)23-19(24)14-22-17-9-5-7-15(2)12-17/h5-10,12-13,22H,3-4,11,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyYKVUKBJJVLPLGV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.58
Rot. Bonds8

About N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide

N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide (PubChem CID 54810805) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
PubChem CID54810805
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2cccc(C)c2)c1
InChIInChI=1S/C20H25N3O2/c1-3-4-11-21-20(25)16-8-6-10-18(13-16)23-19(24)14-22-17-9-5-7-15(2)12-17/h5-10,12-13,22H,3-4,11,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyYKVUKBJJVLPLGV-UHFFFAOYSA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide (CID 54810805) is N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CNc2cccc(C)c2)c1.
What is the InChIKey of N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The InChIKey is YKVUKBJJVLPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-4-11-21-20(25)16-8-6-10-18(13-16)23-19(24)14-22-17-9-5-7-15(2)12-17/h5-10,12-13,22H,3-4,11,14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).