3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide

C18H22N2O2 — CID 16576333

IUPAC3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
SMILESCOc1ccc(N(CCC(N)=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-22-17-9-7-16(8-10-17)20(14-12-18(19)21)13-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,19,21)
InChIKeyFAWVLXUJLICZMZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds8

About 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide

3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide (PubChem CID 16576333) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide.

Molecular Properties

Compound Name3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
PubChem CID16576333
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
SMILESCOc1ccc(N(CCC(N)=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-22-17-9-7-16(8-10-17)20(14-12-18(19)21)13-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,19,21)
InChIKeyFAWVLXUJLICZMZ-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyethyl)anilino]propanamide
CID 34740045
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264
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
5-(4-methoxyphenyl)pentanamide
CID 134389506
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-(N-butylanilino)propanamide
CID 63172183

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide?
The IUPAC name of 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide (CID 16576333) is 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide.
What is the SMILES notation for 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide?
The canonical SMILES for 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide is COc1ccc(N(CCC(N)=O)CCc2ccccc2)cc1.
What is the InChIKey of 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide?
The InChIKey is FAWVLXUJLICZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-9-7-16(8-10-17)20(14-12-18(19)21)13-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,19,21).
What are the key properties of 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide?
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide is sourced from PubChem (CID 16576333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).