3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide

C20H25N3O3 — CID 17430264

IUPAC3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C20H25N3O3/c1-15-5-3-4-6-16(15)13-22-20(25)14-23(12-11-19(21)24)17-7-9-18(26-2)10-8-17/h3-10H,11-14H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyAEWXZZLHTPHHME-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.00
Rot. Bonds9

About 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide

3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide (PubChem CID 17430264) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
PubChem CID17430264
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C20H25N3O3/c1-15-5-3-4-6-16(15)13-22-20(25)14-23(12-11-19(21)24)17-7-9-18(26-2)10-8-17/h3-10H,11-14H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyAEWXZZLHTPHHME-UHFFFAOYSA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
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-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24568550
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 17427292
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide?
The IUPAC name of 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide (CID 17430264) is 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide.
What is the SMILES notation for 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide?
The canonical SMILES for 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)NCc2ccccc2C)cc1.
What is the InChIKey of 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide?
The InChIKey is AEWXZZLHTPHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-5-3-4-6-16(15)13-22-20(25)14-23(12-11-19(21)24)17-7-9-18(26-2)10-8-17/h3-10H,11-14H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide?
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide is sourced from PubChem (CID 17430264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).