4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid

C14H18N2O5 — CID 62329039

IUPAC4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
SMILESCCCOc1ccc(NC(=O)NC(=O)CCC(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-9-21-11-5-3-10(4-6-11)15-14(20)16-12(17)7-8-13(18)19/h3-6H,2,7-9H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyXGFNGNNQPDUQIM-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds7

About 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid

4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid (PubChem CID 62329039) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
PubChem CID62329039
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
SMILESCCCOc1ccc(NC(=O)NC(=O)CCC(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-9-21-11-5-3-10(4-6-11)15-14(20)16-12(17)7-8-13(18)19/h3-6H,2,7-9H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyXGFNGNNQPDUQIM-UHFFFAOYSA-N
XLogP1.99
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
CID 62327824
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-(4-butoxyphenyl)butanamide
CID 4939679
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
2-(4-propoxyanilino)acetic acid
CID 15310375

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid (CID 62329039) is 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid is CCCOc1ccc(NC(=O)NC(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is XGFNGNNQPDUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-9-21-11-5-3-10(4-6-11)15-14(20)16-12(17)7-8-13(18)19/h3-6H,2,7-9H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid?
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 62329039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).