N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C22H29N3O3 — CID 54831493

IUPACN-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCC(C)Oc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-16(4)28-20-11-9-17(10-12-20)24-21(26)14-23-18-7-6-8-19(13-18)25-22(27)15(2)3/h6-13,15-16,23H,5,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBPGOZHGHJVSYOO-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.51
Rot. Bonds9

About N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54831493) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54831493
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCC(C)Oc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-16(4)28-20-11-9-17(10-12-20)24-21(26)14-23-18-7-6-8-19(13-18)25-22(27)15(2)3/h6-13,15-16,23H,5,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBPGOZHGHJVSYOO-UHFFFAOYSA-N
XLogP4.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830461
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826479
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54831493) is N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is CCC(C)Oc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is BPGOZHGHJVSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-16(4)28-20-11-9-17(10-12-20)24-21(26)14-23-18-7-6-8-19(13-18)25-22(27)15(2)3/h6-13,15-16,23H,5,14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 383.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54831493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).