7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid

C15H20N2O4 — CID 54195000

IUPAC7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid
SMILESC=C(CCCCCNC(=O)Nc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-11(14(19)20)5-3-2-4-10-16-15(21)17-12-6-8-13(18)9-7-12/h6-9,18H,1-5,10H2,(H,19,20)(H2,16,17,21)
InChIKeyPLEAVCUXCULYJG-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.71
Rot. Bonds8

About 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid

7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid (PubChem CID 54195000) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid.

Molecular Properties

Compound Name7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid
PubChem CID54195000
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid
SMILESC=C(CCCCCNC(=O)Nc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-11(14(19)20)5-3-2-4-10-16-15(21)17-12-6-8-13(18)9-7-12/h6-9,18H,1-5,10H2,(H,19,20)(H2,16,17,21)
InChIKeyPLEAVCUXCULYJG-UHFFFAOYSA-N
XLogP2.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
CID 11704173
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
CID 101032616
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide
CID 70068338
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966

Frequently Asked Questions

What is the IUPAC name of 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid?
The IUPAC name of 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid (CID 54195000) is 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid.
What is the SMILES notation for 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid?
The canonical SMILES for 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid is C=C(CCCCCNC(=O)Nc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid?
The InChIKey is PLEAVCUXCULYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(14(19)20)5-3-2-4-10-16-15(21)17-12-6-8-13(18)9-7-12/h6-9,18H,1-5,10H2,(H,19,20)(H2,16,17,21).
What are the key properties of 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid?
7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid is sourced from PubChem (CID 54195000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).