4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid

C14H20N2O5 — CID 28511511

IUPAC4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
SMILESCOc1ccc(OCCNC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O5/c1-20-11-4-6-12(7-5-11)21-10-9-16-14(19)15-8-2-3-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyVXNYAHCQGSSSSA-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.24
Rot. Bonds9

About 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid

4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid (PubChem CID 28511511) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
PubChem CID28511511
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
SMILESCOc1ccc(OCCNC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O5/c1-20-11-4-6-12(7-5-11)21-10-9-16-14(19)15-8-2-3-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyVXNYAHCQGSSSSA-UHFFFAOYSA-N
XLogP1.24
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108910756
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid (CID 28511511) is 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid is COc1ccc(OCCNC(=O)NCCCC(=O)O)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid?
The InChIKey is VXNYAHCQGSSSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-11-4-6-12(7-5-11)21-10-9-16-14(19)15-8-2-3-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid?
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 28511511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).