ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate

C11H15N3O3 — CID 107469921

IUPACethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)OCC
InChIInChI=1S/C11H15N3O3/c1-3-17-11(15)14-9-7(10(12)13)5-4-6-8(9)16-2/h4-6H,3H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyZPANOLXDZMNEHQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.55
Rot. Bonds4

About ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate

ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate (PubChem CID 107469921) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
PubChem CID107469921
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)OCC
InChIInChI=1S/C11H15N3O3/c1-3-17-11(15)14-9-7(10(12)13)5-4-6-8(9)16-2/h4-6H,3H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyZPANOLXDZMNEHQ-UHFFFAOYSA-N
XLogP1.55
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 107469929
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340
3-methoxy-2-(2,2,2-trichloroethoxycarbonylamino)benzoic acid
CID 22046696
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
CID 107469946
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate (CID 107469921) is ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate is [H]/N=C(\N)c1cccc(OC)c1NC(=O)OCC.
What is the InChIKey of ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate?
The InChIKey is ZPANOLXDZMNEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-17-11(15)14-9-7(10(12)13)5-4-6-8(9)16-2/h4-6H,3H2,1-2H3,(H3,12,13)(H,14,15).
What are the key properties of ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate?
ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate has a molecular weight of 237.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate is sourced from PubChem (CID 107469921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).