N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide

C19H24N2O3 — CID 109015111

IUPACN-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
SMILESCOCCNC(=O)CCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-14-13-21-19(22)11-12-20-17-7-9-18(10-8-17)24-15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3,(H,21,22)
InChIKeyOFJOQFAKFPQFHF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.83
Rot. Bonds10

About N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide

N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide (PubChem CID 109015111) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
PubChem CID109015111
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
SMILESCOCCNC(=O)CCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-14-13-21-19(22)11-12-20-17-7-9-18(10-8-17)24-15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3,(H,21,22)
InChIKeyOFJOQFAKFPQFHF-UHFFFAOYSA-N
XLogP2.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023273
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
N-methyl-N-phenyl-3-(4-phenylmethoxyanilino)propanamide
CID 109034597
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide (CID 109015111) is N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide is COCCNC(=O)CCNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide?
The InChIKey is OFJOQFAKFPQFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-14-13-21-19(22)11-12-20-17-7-9-18(10-8-17)24-15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide?
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide has a molecular weight of 328.41 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide is sourced from PubChem (CID 109015111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).