(5-carbamoyl-2-methoxyphenyl) methyl carbonate

C10H11NO5 — CID 122661696

IUPAC(5-carbamoyl-2-methoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C10H11NO5/c1-14-7-4-3-6(9(11)12)5-8(7)16-10(13)15-2/h3-5H,1-2H3,(H2,11,12)
InChIKeyANOZNPWQYAWTJK-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.94
Rot. Bonds3

About (5-carbamoyl-2-methoxyphenyl) methyl carbonate

(5-carbamoyl-2-methoxyphenyl) methyl carbonate (PubChem CID 122661696) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (5-carbamoyl-2-methoxyphenyl) methyl carbonate.

Molecular Properties

Compound Name(5-carbamoyl-2-methoxyphenyl) methyl carbonate
PubChem CID122661696
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(5-carbamoyl-2-methoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C10H11NO5/c1-14-7-4-3-6(9(11)12)5-8(7)16-10(13)15-2/h3-5H,1-2H3,(H2,11,12)
InChIKeyANOZNPWQYAWTJK-UHFFFAOYSA-N
XLogP0.94
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-3-methoxycarbonyloxyphenyl)-4-oxobutanoic acid
CID 168859769
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
3-formyl-4-methoxybenzamide
CID 23141386
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
CID 65442777
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
4-methoxy-3-pentoxybenzamide
CID 82041442
4-butoxy-3-methoxybenzamide
CID 47102628

Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-2-methoxyphenyl) methyl carbonate?
The IUPAC name of (5-carbamoyl-2-methoxyphenyl) methyl carbonate (CID 122661696) is (5-carbamoyl-2-methoxyphenyl) methyl carbonate.
What is the SMILES notation for (5-carbamoyl-2-methoxyphenyl) methyl carbonate?
The canonical SMILES for (5-carbamoyl-2-methoxyphenyl) methyl carbonate is COC(=O)Oc1cc(C(N)=O)ccc1OC.
What is the InChIKey of (5-carbamoyl-2-methoxyphenyl) methyl carbonate?
The InChIKey is ANOZNPWQYAWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-14-7-4-3-6(9(11)12)5-8(7)16-10(13)15-2/h3-5H,1-2H3,(H2,11,12).
What are the key properties of (5-carbamoyl-2-methoxyphenyl) methyl carbonate?
(5-carbamoyl-2-methoxyphenyl) methyl carbonate has a molecular weight of 225.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-2-methoxyphenyl) methyl carbonate is sourced from PubChem (CID 122661696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).