N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide

C26H29N3O2 — CID 54837342

IUPACN-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-3-21-12-7-9-19(2)26(21)29-25(31)18-27-22-13-8-14-23(17-22)28-24(30)16-15-20-10-5-4-6-11-20/h4-14,17,27H,3,15-16,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyXOMFAOOGTYVHMC-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.18
Rot. Bonds9

About N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54837342) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54837342
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-3-21-12-7-9-19(2)26(21)29-25(31)18-27-22-13-8-14-23(17-22)28-24(30)16-15-20-10-5-4-6-11-20/h4-14,17,27H,3,15-16,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyXOMFAOOGTYVHMC-UHFFFAOYSA-N
XLogP5.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-butyl-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837288

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (CID 54837342) is N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is CCc1cccc(C)c1NC(=O)CNc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is XOMFAOOGTYVHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-21-12-7-9-19(2)26(21)29-25(31)18-27-22-13-8-14-23(17-22)28-24(30)16-15-20-10-5-4-6-11-20/h4-14,17,27H,3,15-16,18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 5.18, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54837342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).