2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid

C14H20N2O4 — CID 81317508

IUPAC2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
SMILESCCOCCNC(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-20-8-7-15-14(19)16-10-12-6-4-3-5-11(12)9-13(17)18/h3-6H,2,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRCNYKJYBBFNIGI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid

2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid (PubChem CID 81317508) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
PubChem CID81317508
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
SMILESCCOCCNC(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-20-8-7-15-14(19)16-10-12-6-4-3-5-11(12)9-13(17)18/h3-6H,2,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRCNYKJYBBFNIGI-UHFFFAOYSA-N
XLogP1.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
2-[2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]phenyl]acetic acid
CID 83113961
2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 81311152
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937061
2-[2-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 104829175
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86999004
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
CID 47248219
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889597

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid (CID 81317508) is 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid is CCOCCNC(=O)NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid?
The InChIKey is RCNYKJYBBFNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-20-8-7-15-14(19)16-10-12-6-4-3-5-11(12)9-13(17)18/h3-6H,2,7-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid?
2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81317508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).