ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate

C14H22N2O4 — CID 124908731

IUPACethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
SMILESCCOC(=O)N(CCN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-4-20-14(17)16(8-7-15)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyTWSVQLAFQBJCPC-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.62
Rot. Bonds7

About ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate

ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate (PubChem CID 124908731) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
PubChem CID124908731
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
SMILESCCOC(=O)N(CCN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-4-20-14(17)16(8-7-15)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyTWSVQLAFQBJCPC-UHFFFAOYSA-N
XLogP1.62
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
1-(2-chloroethyl)-1-[(3,4-dimethoxyphenyl)methyl]urea
CID 21140395
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
CID 5094204
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate (CID 124908731) is ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate is CCOC(=O)N(CCN)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate?
The InChIKey is TWSVQLAFQBJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-20-14(17)16(8-7-15)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate?
ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 124908731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).