ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate

C13H19N3O4 — CID 79472872

IUPACethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C13H19N3O4/c1-2-20-13(18)16-11-5-3-10(4-6-11)15-12(17)9-19-8-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyLNQQFKYEUVMLFN-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.17
Rot. Bonds7

About ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate

ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate (PubChem CID 79472872) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
PubChem CID79472872
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C13H19N3O4/c1-2-20-13(18)16-11-5-3-10(4-6-11)15-12(17)9-19-8-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyLNQQFKYEUVMLFN-UHFFFAOYSA-N
XLogP1.17
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-(2-aminoethoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 79473221
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
CID 106911779

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate (CID 79472872) is ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)COCCN)cc1.
What is the InChIKey of ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate?
The InChIKey is LNQQFKYEUVMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-20-13(18)16-11-5-3-10(4-6-11)15-12(17)9-19-8-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate?
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate has a molecular weight of 281.31 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 79472872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).