N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide

C22H28N4O3 — CID 54840688

IUPACN-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-5-15(2)24-21(28)17-7-6-8-19(13-17)25-20(27)14-23-18-11-9-16(10-12-18)22(29)26(3)4/h6-13,15,23H,5,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyIJLFZNCPBPVKIZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.97
Rot. Bonds8

About N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide

N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54840688) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54840688
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-5-15(2)24-21(28)17-7-6-8-19(13-17)25-20(27)14-23-18-11-9-16(10-12-18)22(29)26(3)4/h6-13,15,23H,5,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyIJLFZNCPBPVKIZ-UHFFFAOYSA-N
XLogP2.97
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54840688) is N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is IJLFZNCPBPVKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-15(2)24-21(28)17-7-6-8-19(13-17)25-20(27)14-23-18-11-9-16(10-12-18)22(29)26(3)4/h6-13,15,23H,5,14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54840688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).