2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid

C18H19NO5 — CID 10359201

IUPAC2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)O)OCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c1-23-16-9-7-15(8-10-16)18(22)19(13-17(20)21)24-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyRFVXVWKIAKGKPO-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.40
Rot. Bonds8

About 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid

2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid (PubChem CID 10359201) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid
PubChem CID10359201
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)O)OCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c1-23-16-9-7-15(8-10-16)18(22)19(13-17(20)21)24-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyRFVXVWKIAKGKPO-UHFFFAOYSA-N
XLogP2.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
N-chloro-N-(2-phenylethoxy)benzamide
CID 13352725
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
CID 110169903
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
CID 18387003
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
2-[acetyloxy(benzoyl)amino]acetic acid
CID 87378197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid?
The IUPAC name of 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid (CID 10359201) is 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid is COc1ccc(C(=O)N(CC(=O)O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid?
The InChIKey is RFVXVWKIAKGKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-16-9-7-15(8-10-16)18(22)19(13-17(20)21)24-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid?
2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid has a molecular weight of 329.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid is sourced from PubChem (CID 10359201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).