N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

C23H31N3O3 — CID 54835273

IUPACN-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC(C)C)c1
InChIInChI=1S/C23H31N3O3/c1-5-17(4)25-23(28)18-9-8-10-19(13-18)24-14-22(27)26-20-11-6-7-12-21(20)29-15-16(2)3/h6-13,16-17,24H,5,14-15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyWFZVPTPHRSNSFL-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.30
Rot. Bonds10

About N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54835273) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54835273
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC(C)C)c1
InChIInChI=1S/C23H31N3O3/c1-5-17(4)25-23(28)18-9-8-10-19(13-18)24-14-22(27)26-20-11-6-7-12-21(20)29-15-16(2)3/h6-13,16-17,24H,5,14-15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyWFZVPTPHRSNSFL-UHFFFAOYSA-N
XLogP4.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54831517
N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836401
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54835273) is N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC(C)C)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is WFZVPTPHRSNSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-17(4)25-23(28)18-9-8-10-19(13-18)24-14-22(27)26-20-11-6-7-12-21(20)29-15-16(2)3/h6-13,16-17,24H,5,14-15H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 397.52 g/mol, XLogP of 4.30, 10 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-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).