N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide

C20H25N3O2 — CID 54834919

IUPACN-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-4-15(3)22-20(25)16-6-5-7-18(12-16)21-13-19(24)23-17-10-8-14(2)9-11-17/h5-12,15,21H,4,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDVCUPYMQERQTMY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.57
Rot. Bonds7

About N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide

N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54834919) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54834919
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-4-15(3)22-20(25)16-6-5-7-18(12-16)21-13-19(24)23-17-10-8-14(2)9-11-17/h5-12,15,21H,4,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDVCUPYMQERQTMY-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide (CID 54834919) is N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is DVCUPYMQERQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-15(3)22-20(25)16-6-5-7-18(12-16)21-13-19(24)23-17-10-8-14(2)9-11-17/h5-12,15,21H,4,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).