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

C15H23N3O2 — CID 54820705

IUPACN-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNCC)c1
InChIInChI=1S/C15H23N3O2/c1-3-5-9-17-15(20)12-7-6-8-13(10-12)18-14(19)11-16-4-2/h6-8,10,16H,3-5,9,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBCPGGFDDSXJMNR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds8

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

N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide (PubChem CID 54820705) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
PubChem CID54820705
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNCC)c1
InChIInChI=1S/C15H23N3O2/c1-3-5-9-17-15(20)12-7-6-8-13(10-12)18-14(19)11-16-4-2/h6-8,10,16H,3-5,9,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBCPGGFDDSXJMNR-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
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-(heptylamino)acetyl]amino]benzamide
CID 54814616
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide
CID 54832394
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
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-(ethylamino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide (CID 54820705) is N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CNCC)c1.
What is the InChIKey of N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide?
The InChIKey is BCPGGFDDSXJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-9-17-15(20)12-7-6-8-13(10-12)18-14(19)11-16-4-2/h6-8,10,16H,3-5,9,11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide?
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 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-(ethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54820705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).