2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate

C12H18N2O4 — CID 83210959

IUPAC2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1cc(C(C)NCCOC(N)=O)ccc1O
InChIInChI=1S/C12H18N2O4/c1-8(14-5-6-18-12(13)16)9-3-4-10(15)11(7-9)17-2/h3-4,7-8,14-15H,5-6H2,1-2H3,(H2,13,16)
InChIKeyKSWQYFLVJCZBNW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.15
Rot. Bonds6

About 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate

2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate (PubChem CID 83210959) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
PubChem CID83210959
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1cc(C(C)NCCOC(N)=O)ccc1O
InChIInChI=1S/C12H18N2O4/c1-8(14-5-6-18-12(13)16)9-3-4-10(15)11(7-9)17-2/h3-4,7-8,14-15H,5-6H2,1-2H3,(H2,13,16)
InChIKeyKSWQYFLVJCZBNW-UHFFFAOYSA-N
XLogP1.15
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 61210890
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate (CID 83210959) is 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate is COc1cc(C(C)NCCOC(N)=O)ccc1O.
What is the InChIKey of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate?
The InChIKey is KSWQYFLVJCZBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(14-5-6-18-12(13)16)9-3-4-10(15)11(7-9)17-2/h3-4,7-8,14-15H,5-6H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate?
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate has a molecular weight of 254.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).