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

C22H28N4O3 — CID 54840938

IUPAC2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C22H28N4O3/c1-3-12-26(13-4-2)22(29)16-8-7-9-17(14-16)24-15-20(27)25-19-11-6-5-10-18(19)21(23)28/h5-11,14,24H,3-4,12-13,15H2,1-2H3,(H2,23,28)(H,25,27)
InChIKeyVOSFKDBSUWBBLF-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.10
Rot. Bonds10

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

2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54840938) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54840938
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C22H28N4O3/c1-3-12-26(13-4-2)22(29)16-8-7-9-17(14-16)24-15-20(27)25-19-11-6-5-10-18(19)21(23)28/h5-11,14,24H,3-4,12-13,15H2,1-2H3,(H2,23,28)(H,25,27)
InChIKeyVOSFKDBSUWBBLF-UHFFFAOYSA-N
XLogP3.10
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54840938) is 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide is CCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is VOSFKDBSUWBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-12-26(13-4-2)22(29)16-8-7-9-17(14-16)24-15-20(27)25-19-11-6-5-10-18(19)21(23)28/h5-11,14,24H,3-4,12-13,15H2,1-2H3,(H2,23,28)(H,25,27).
What are the key properties of 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide?
2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54840938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).