carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate

C13H17NO6 — CID 57022293

IUPACcarbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate
SMILESCOc1cc(OC)cc(C(C)(C)OC(=O)OC(N)=O)c1
InChIInChI=1S/C13H17NO6/c1-13(2,20-12(16)19-11(14)15)8-5-9(17-3)7-10(6-8)18-4/h5-7H,1-4H3,(H2,14,15)
InChIKeyRRANZBFKFZZTDE-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.17
Rot. Bonds4

About carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate

carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate (PubChem CID 57022293) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate.

Molecular Properties

Compound Namecarbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate
PubChem CID57022293
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namecarbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate
SMILESCOc1cc(OC)cc(C(C)(C)OC(=O)OC(N)=O)c1
InChIInChI=1S/C13H17NO6/c1-13(2,20-12(16)19-11(14)15)8-5-9(17-3)7-10(6-8)18-4/h5-7H,1-4H3,(H2,14,15)
InChIKeyRRANZBFKFZZTDE-UHFFFAOYSA-N
XLogP2.17
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]propanoic acid
CID 3749994
1,3,5-trimethoxybenzene;urea
CID 174919725
2-[3-(hydroxymethyl)-5-methoxyphenyl]propan-2-yl N-[6-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]hexyl]carbamate
CID 66801800
2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 4313826
(2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 2729209
2-(3,5-dimethoxyphenyl)propan-2-yl N-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]carbamate
CID 3788187
bis[2-(3,5-dimethoxyphenyl)propan-2-yl] 2,2-diamino-3-butylbutanedioate
CID 141238719
2-(3,5-dimethoxyphenyl)propan-2-yl 4-sulfanyl-2-triethoxysilylbutanoate
CID 87574997
2-(3,5-dimethoxyphenyl)propan-2-yl 2-sulfanyl-4-triethoxysilylbutanoate
CID 87574998
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899
bis[2-(3,5-dimethoxyphenyl)propan-2-yl] 2-(2-aminoethylamino)octanedioate
CID 68732883
N-(3,5-dimethoxyphenyl)acetamide
CID 702039

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate?
The IUPAC name of carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate (CID 57022293) is carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate.
What is the SMILES notation for carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate?
The canonical SMILES for carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate is COc1cc(OC)cc(C(C)(C)OC(=O)OC(N)=O)c1.
What is the InChIKey of carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate?
The InChIKey is RRANZBFKFZZTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-13(2,20-12(16)19-11(14)15)8-5-9(17-3)7-10(6-8)18-4/h5-7H,1-4H3,(H2,14,15).
What are the key properties of carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate?
carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate has a molecular weight of 283.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-(3,5-dimethoxyphenyl)propan-2-yl carbonate is sourced from PubChem (CID 57022293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).