4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid

C14H20N2O4 — CID 122094954

IUPAC4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCCc1ccc(NC(=O)NCCCC(=O)O)cc1OC
InChIInChI=1S/C14H20N2O4/c1-3-10-6-7-11(9-12(10)20-2)16-14(19)15-8-4-5-13(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBTAOOAJIFCHGIL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.24
Rot. Bonds7

About 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid

4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid (PubChem CID 122094954) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid
PubChem CID122094954
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCCc1ccc(NC(=O)NCCCC(=O)O)cc1OC
InChIInChI=1S/C14H20N2O4/c1-3-10-6-7-11(9-12(10)20-2)16-14(19)15-8-4-5-13(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBTAOOAJIFCHGIL-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.24
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

4-[(4-bromo-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 82859610
6-[(4-bromo-3-methoxyphenyl)carbamoylamino]hexanoic acid
CID 82861239
4-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075598
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122085552
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
3-[(4-chloro-3,5-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 122095209
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
4-[(3-fluoro-4-methoxycarbonylphenyl)carbamoylamino]butanoic acid
CID 122086927
4-[3-(4-bromo-2-methoxyphenyl)propylcarbamoylamino]butanoic acid
CID 122009749
4-(3-ethyl-4-methoxyanilino)butanoic acid
CID 115218434

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid (CID 122094954) is 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid is CCc1ccc(NC(=O)NCCCC(=O)O)cc1OC.
What is the InChIKey of 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is BTAOOAJIFCHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-6-7-11(9-12(10)20-2)16-14(19)15-8-4-5-13(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid?
4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122094954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).