3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide

C22H29N3O2 — CID 54841044

IUPAC3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-4-13-25(14-5-2)22(27)18-7-6-8-20(15-18)23-16-21(26)24-19-11-9-17(3)10-12-19/h6-12,15,23H,4-5,13-14,16H2,1-3H3,(H,24,26)
InChIKeyFIJPIICSCHCJTG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.31
Rot. Bonds9

About 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide

3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54841044) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
PubChem CID54841044
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-4-13-25(14-5-2)22(27)18-7-6-8-20(15-18)23-16-21(26)24-19-11-9-17(3)10-12-19/h6-12,15,23H,4-5,13-14,16H2,1-3H3,(H,24,26)
InChIKeyFIJPIICSCHCJTG-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841277
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840938
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (CID 54841044) is 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is FIJPIICSCHCJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-13-25(14-5-2)22(27)18-7-6-8-20(15-18)23-16-21(26)24-19-11-9-17(3)10-12-19/h6-12,15,23H,4-5,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54841044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).