2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate

C13H20N2O4 — CID 83211785

IUPAC2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
SMILESCCOc1cc(CNCCOC(N)=O)ccc1OC
InChIInChI=1S/C13H20N2O4/c1-3-18-12-8-10(4-5-11(12)17-2)9-15-6-7-19-13(14)16/h4-5,8,15H,3,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyQRHFRYFGMPQJMK-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.28
Rot. Bonds8

About 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate

2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate (PubChem CID 83211785) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
PubChem CID83211785
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
SMILESCCOc1cc(CNCCOC(N)=O)ccc1OC
InChIInChI=1S/C13H20N2O4/c1-3-18-12-8-10(4-5-11(12)17-2)9-15-6-7-19-13(14)16/h4-5,8,15H,3,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyQRHFRYFGMPQJMK-UHFFFAOYSA-N
XLogP1.28
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethyl carbamate
CID 83210828
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxyphenyl]methylamino]ethyl carbamate
CID 106789955
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate (CID 83211785) is 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate is CCOc1cc(CNCCOC(N)=O)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate?
The InChIKey is QRHFRYFGMPQJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-18-12-8-10(4-5-11(12)17-2)9-15-6-7-19-13(14)16/h4-5,8,15H,3,6-7,9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate?
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate has a molecular weight of 268.31 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).