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

C22H29N3O3 — CID 54831517

IUPAC2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-28-20-11-6-5-10-19(20)25-21(26)13-23-17-8-7-9-18(12-17)24-22(27)16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyQNSFHEDDOHAQKN-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.37
Rot. Bonds9

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

2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54831517) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54831517
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-28-20-11-6-5-10-19(20)25-21(26)13-23-17-8-7-9-18(12-17)24-22(27)16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyQNSFHEDDOHAQKN-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

2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
N-[3-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817318
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835273
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (CID 54831517) is 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is CC(C)COc1ccccc1NC(=O)CNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is QNSFHEDDOHAQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)14-28-20-11-6-5-10-19(20)25-21(26)13-23-17-8-7-9-18(12-17)24-22(27)16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
2-methyl-N-[3-[[2-[2-(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-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54831517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).