N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide

C18H21N3O2 — CID 54830466

IUPACN-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(2)18(23)21-16-10-8-14(9-11-16)19-12-17(22)20-15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZTNWEYBCRGYPKG-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.33
Rot. Bonds6

About N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide

N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide (PubChem CID 54830466) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
PubChem CID54830466
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(2)18(23)21-16-10-8-14(9-11-16)19-12-17(22)20-15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZTNWEYBCRGYPKG-UHFFFAOYSA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide (CID 54830466) is N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide?
The InChIKey is ZTNWEYBCRGYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)18(23)21-16-10-8-14(9-11-16)19-12-17(22)20-15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide?
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54830466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).