3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide

C19H23N3O3 — CID 54823168

IUPAC3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
SMILESCC(C)COc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H23N3O3/c1-13(2)12-25-17-8-4-6-15(10-17)21-11-18(23)22-16-7-3-5-14(9-16)19(20)24/h3-10,13,21H,11-12H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyICQMCQYIQDFDMC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.87
Rot. Bonds8

About 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide

3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide (PubChem CID 54823168) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
PubChem CID54823168
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
SMILESCC(C)COc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H23N3O3/c1-13(2)12-25-17-8-4-6-15(10-17)21-11-18(23)22-16-7-3-5-14(9-16)19(20)24/h3-10,13,21H,11-12H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyICQMCQYIQDFDMC-UHFFFAOYSA-N
XLogP2.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide (CID 54823168) is 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide is CC(C)COc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The InChIKey is ICQMCQYIQDFDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)12-25-17-8-4-6-15(10-17)21-11-18(23)22-16-7-3-5-14(9-16)19(20)24/h3-10,13,21H,11-12H2,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54823168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).