1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate

C19H23NO4 — CID 70632912

IUPAC1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate
SMILESCCN(c1cccc(OC)c1)C(C)OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO4/c1-5-20(16-7-6-8-18(13-16)23-4)14(2)24-19(21)15-9-11-17(22-3)12-10-15/h6-14H,5H2,1-4H3
InChIKeyDHBLIFNJMLBVFI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.73
Rot. Bonds7

About 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate

1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate (PubChem CID 70632912) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate.

Molecular Properties

Compound Name1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate
PubChem CID70632912
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate
SMILESCCN(c1cccc(OC)c1)C(C)OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO4/c1-5-20(16-7-6-8-18(13-16)23-4)14(2)24-19(21)15-9-11-17(22-3)12-10-15/h6-14H,5H2,1-4H3
InChIKeyDHBLIFNJMLBVFI-UHFFFAOYSA-N
XLogP3.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
CID 70632747
1-(N-ethylanilino)ethyl 4-phenylbenzoate
CID 70632799
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
CID 144581628
1-hydroxyethyl 4-methoxybenzoate
CID 67719638
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
CID 154621282
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
N-[1-(3-bromo-4-methylphenyl)ethyl]-N-ethyl-3-methoxyaniline
CID 118349162
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 55417663
2-(4-methoxybenzoyl)oxybutanoic acid
CID 126720866

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate?
The IUPAC name of 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate (CID 70632912) is 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate.
What is the SMILES notation for 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate?
The canonical SMILES for 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate is CCN(c1cccc(OC)c1)C(C)OC(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate?
The InChIKey is DHBLIFNJMLBVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-20(16-7-6-8-18(13-16)23-4)14(2)24-19(21)15-9-11-17(22-3)12-10-15/h6-14H,5H2,1-4H3.
What are the key properties of 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate?
1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate has a molecular weight of 329.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate is sourced from PubChem (CID 70632912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).