2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide

C22H29N3O3 — CID 54830634

IUPAC2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-28-20-7-5-6-19(12-20)24-21(26)13-23-17-8-10-18(11-9-17)25-22(27)16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyHBPHWGCPKJNWKT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.37
Rot. Bonds9

About 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54830634) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54830634
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-28-20-7-5-6-19(12-20)24-21(26)13-23-17-8-10-18(11-9-17)25-22(27)16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyHBPHWGCPKJNWKT-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (CID 54830634) is 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is CC(C)COc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is HBPHWGCPKJNWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)14-28-20-7-5-6-19(12-20)24-21(26)13-23-17-8-10-18(11-9-17)25-22(27)16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 4.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54830634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).