2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid

C15H18N2O4 — CID 108913213

IUPAC2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C15H18N2O4/c18-14(19)9-11-1-3-13(4-2-11)17-15(20)16-10-12-5-7-21-8-6-12/h1-4,10H,5-9H2,(H,18,19)(H2,16,17,20)
InChIKeyMEPBHUPIOKNXRA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.13
Rot. Bonds4

About 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid

2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid (PubChem CID 108913213) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
PubChem CID108913213
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C15H18N2O4/c18-14(19)9-11-1-3-13(4-2-11)17-15(20)16-10-12-5-7-21-8-6-12/h1-4,10H,5-9H2,(H,18,19)(H2,16,17,20)
InChIKeyMEPBHUPIOKNXRA-UHFFFAOYSA-N
XLogP2.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108912522
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913217
1-(4-iodophenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913332
4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
CID 108913299
methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate
CID 108913270
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
CID 108909914
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108913081
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid (CID 108913213) is 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC=C2CCOCC2)cc1.
What is the InChIKey of 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is MEPBHUPIOKNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)9-11-1-3-13(4-2-11)17-15(20)16-10-12-5-7-21-8-6-12/h1-4,10H,5-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid?
2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 108913213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).