(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid

C14H22N2O5 — CID 159317462

IUPAC(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid
SMILESCCOC(N)COC(C)=O.O=C(O)NCc1ccccc1
InChIInChI=1S/C8H9NO2.C6H13NO3/c10-8(11)9-6-7-4-2-1-3-5-7;1-3-9-6(7)4-10-5(2)8/h1-5,9H,6H2,(H,10,11);6H,3-4,7H2,1-2H3
InChIKeyLDHZUDYCOQXSEX-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.33
Rot. Bonds6

About (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid

(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid (PubChem CID 159317462) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid.

Molecular Properties

Compound Name(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid
PubChem CID159317462
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid
SMILESCCOC(N)COC(C)=O.O=C(O)NCc1ccccc1
InChIInChI=1S/C8H9NO2.C6H13NO3/c10-8(11)9-6-7-4-2-1-3-5-7;1-3-9-6(7)4-10-5(2)8/h1-5,9H,6H2,(H,10,11);6H,3-4,7H2,1-2H3
InChIKeyLDHZUDYCOQXSEX-UHFFFAOYSA-N
XLogP1.33
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 67715166
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(Z)-4-(benzylamino)-4-ethoxybut-3-en-2-one
CID 101098623
[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate
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(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
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ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
N-benzylacetamide;ethanamine
CID 22257034
[(2R,3R)-2,3-dihydroxy-4-phenylbutyl] acetate
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[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
2-methylpropyl acetate;toluene
CID 19602176

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid?
The IUPAC name of (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid (CID 159317462) is (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid.
What is the SMILES notation for (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid?
The canonical SMILES for (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid is CCOC(N)COC(C)=O.O=C(O)NCc1ccccc1.
What is the InChIKey of (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid?
The InChIKey is LDHZUDYCOQXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H13NO3/c10-8(11)9-6-7-4-2-1-3-5-7;1-3-9-6(7)4-10-5(2)8/h1-5,9H,6H2,(H,10,11);6H,3-4,7H2,1-2H3.
What are the key properties of (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid?
(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid has a molecular weight of 298.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid is sourced from PubChem (CID 159317462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).