ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate

C13H20N2O4 — CID 63695809

IUPACethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCC(OC)OC)cc1
InChIInChI=1S/C13H20N2O4/c1-4-19-13(16)15-11-7-5-10(6-8-11)14-9-12(17-2)18-3/h5-8,12,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyZKANHLQZPJUXHU-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.29
Rot. Bonds7

About ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate

ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate (PubChem CID 63695809) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate
PubChem CID63695809
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCC(OC)OC)cc1
InChIInChI=1S/C13H20N2O4/c1-4-19-13(16)15-11-7-5-10(6-8-11)14-9-12(17-2)18-3/h5-8,12,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyZKANHLQZPJUXHU-UHFFFAOYSA-N
XLogP2.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
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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ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
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ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
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ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
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CID 168606743
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
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ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
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CID 47413009

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate (CID 63695809) is ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NCC(OC)OC)cc1.
What is the InChIKey of ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate?
The InChIKey is ZKANHLQZPJUXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-19-13(16)15-11-7-5-10(6-8-11)14-9-12(17-2)18-3/h5-8,12,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate?
ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate has a molecular weight of 268.31 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate is sourced from PubChem (CID 63695809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).