4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid

C18H19NO4 — CID 19760364

IUPAC4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid
SMILESCCOc1cc(CC(=O)NCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C18H19NO4/c1-2-23-16-10-14(8-9-15(16)18(21)22)11-17(20)19-12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyCFTSEHOOZAZWPT-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.64
Rot. Bonds7

About 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid

4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid (PubChem CID 19760364) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid
PubChem CID19760364
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid
SMILESCCOc1cc(CC(=O)NCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C18H19NO4/c1-2-23-16-10-14(8-9-15(16)18(21)22)11-17(20)19-12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyCFTSEHOOZAZWPT-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
CID 70594097
CID 70594097
4-(cyanomethyl)-2-ethoxybenzoic acid
CID 21261767
N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid (CID 19760364) is 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid is CCOc1cc(CC(=O)NCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid?
The InChIKey is CFTSEHOOZAZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-23-16-10-14(8-9-15(16)18(21)22)11-17(20)19-12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid?
4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid is sourced from PubChem (CID 19760364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).