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

C23H31N3O3 — CID 54834525

IUPACN-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C23H31N3O3/c1-5-17(4)25-23(28)18-9-11-19(12-10-18)24-14-22(27)26-20-7-6-8-21(13-20)29-15-16(2)3/h6-13,16-17,24H,5,14-15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyIQDYETOZLWLGSI-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.30
Rot. Bonds10

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

N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834525) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834525
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C23H31N3O3/c1-5-17(4)25-23(28)18-9-11-19(12-10-18)24-14-22(27)26-20-7-6-8-21(13-20)29-15-16(2)3/h6-13,16-17,24H,5,14-15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyIQDYETOZLWLGSI-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

N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843077
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54834525) is N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is IQDYETOZLWLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-17(4)25-23(28)18-9-11-19(12-10-18)24-14-22(27)26-20-7-6-8-21(13-20)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-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-4-[[2-[3-(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-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).