[(4-methoxyphenyl)carbamoylamino] propanoate

C11H14N2O4 — CID 57108481

IUPAC[(4-methoxyphenyl)carbamoylamino] propanoate
SMILESCCC(=O)ONC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C11H14N2O4/c1-3-10(14)17-13-11(15)12-8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,13,15)
InChIKeyPARDIJOIUSQHDB-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.68
Rot. Bonds3

About [(4-methoxyphenyl)carbamoylamino] propanoate

[(4-methoxyphenyl)carbamoylamino] propanoate (PubChem CID 57108481) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(4-methoxyphenyl)carbamoylamino] propanoate.

Molecular Properties

Compound Name[(4-methoxyphenyl)carbamoylamino] propanoate
PubChem CID57108481
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(4-methoxyphenyl)carbamoylamino] propanoate
SMILESCCC(=O)ONC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C11H14N2O4/c1-3-10(14)17-13-11(15)12-8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,13,15)
InChIKeyPARDIJOIUSQHDB-UHFFFAOYSA-N
XLogP1.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
CID 3763474

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)carbamoylamino] propanoate?
The IUPAC name of [(4-methoxyphenyl)carbamoylamino] propanoate (CID 57108481) is [(4-methoxyphenyl)carbamoylamino] propanoate.
What is the SMILES notation for [(4-methoxyphenyl)carbamoylamino] propanoate?
The canonical SMILES for [(4-methoxyphenyl)carbamoylamino] propanoate is CCC(=O)ONC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of [(4-methoxyphenyl)carbamoylamino] propanoate?
The InChIKey is PARDIJOIUSQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-10(14)17-13-11(15)12-8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,13,15).
What are the key properties of [(4-methoxyphenyl)carbamoylamino] propanoate?
[(4-methoxyphenyl)carbamoylamino] propanoate has a molecular weight of 238.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)carbamoylamino] propanoate is sourced from PubChem (CID 57108481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).