N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C21H26N4O3 — CID 54833663

IUPACN-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-3-4-12-23-21(28)16-6-5-7-18(13-16)24-14-19(26)25-17-10-8-15(9-11-17)20(27)22-2/h5-11,13,24H,3-4,12,14H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)
InChIKeyVHPSBYVPGPUIFO-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.63
Rot. Bonds9

About N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54833663) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54833663
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-3-4-12-23-21(28)16-6-5-7-18(13-16)24-14-19(26)25-17-10-8-15(9-11-17)20(27)22-2/h5-11,13,24H,3-4,12,14H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)
InChIKeyVHPSBYVPGPUIFO-UHFFFAOYSA-N
XLogP2.63
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54833663) is N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1.
What is the InChIKey of N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VHPSBYVPGPUIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-4-12-23-21(28)16-6-5-7-18(13-16)24-14-19(26)25-17-10-8-15(9-11-17)20(27)22-2/h5-11,13,24H,3-4,12,14H2,1-2H3,(H,22,27)(H,23,28)(H,25,26).
What are the key properties of N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.63, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54833663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).