3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

C21H27N3O3 — CID 24568550

IUPAC3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCCN(C(=O)CN(CCC(N)=O)c1ccc(OC)cc1)c1ccccc1C
InChIInChI=1S/C21H27N3O3/c1-4-24(19-8-6-5-7-16(19)2)21(26)15-23(14-13-20(22)25)17-9-11-18(27-3)12-10-17/h5-12H,4,13-15H2,1-3H3,(H2,22,25)
InChIKeyRBPMJCDGTFNSDK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.74
Rot. Bonds9

About 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (PubChem CID 24568550) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
PubChem CID24568550
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCCN(C(=O)CN(CCC(N)=O)c1ccc(OC)cc1)c1ccccc1C
InChIInChI=1S/C21H27N3O3/c1-4-24(19-8-6-5-7-16(19)2)21(26)15-23(14-13-20(22)25)17-9-11-18(27-3)12-10-17/h5-12H,4,13-15H2,1-3H3,(H2,22,25)
InChIKeyRBPMJCDGTFNSDK-UHFFFAOYSA-N
XLogP2.74
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264
methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013232
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
3-(N-[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 26207316
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18128442
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (CID 24568550) is 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is CCN(C(=O)CN(CCC(N)=O)c1ccc(OC)cc1)c1ccccc1C.
What is the InChIKey of 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The InChIKey is RBPMJCDGTFNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-24(19-8-6-5-7-16(19)2)21(26)15-23(14-13-20(22)25)17-9-11-18(27-3)12-10-17/h5-12H,4,13-15H2,1-3H3,(H2,22,25).
What are the key properties of 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 24568550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).