3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide

C20H24N4O3 — CID 54837270

IUPAC3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-5-18(25)23-16-10-8-15(9-11-16)22-13-19(26)24-17-7-4-6-14(12-17)20(27)21-2/h4,6-12,22H,3,5,13H2,1-2H3,(H,21,27)(H,23,25)(H,24,26)
InChIKeyKDLUMJZMDYJOEJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.84
Rot. Bonds8

About 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide

3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide (PubChem CID 54837270) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
PubChem CID54837270
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-5-18(25)23-16-10-8-15(9-11-16)22-13-19(26)24-17-7-4-6-14(12-17)20(27)21-2/h4,6-12,22H,3,5,13H2,1-2H3,(H,21,27)(H,23,25)(H,24,26)
InChIKeyKDLUMJZMDYJOEJ-UHFFFAOYSA-N
XLogP2.84
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide (CID 54837270) is 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1.
What is the InChIKey of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide?
The InChIKey is KDLUMJZMDYJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-5-18(25)23-16-10-8-15(9-11-16)22-13-19(26)24-17-7-4-6-14(12-17)20(27)21-2/h4,6-12,22H,3,5,13H2,1-2H3,(H,21,27)(H,23,25)(H,24,26).
What are the key properties of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide?
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54837270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).