ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate

C16H20N2O3 — CID 61421320

IUPACethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CC)Cc1ccco1
InChIInChI=1S/C16H20N2O3/c1-3-18(11-13-6-5-9-21-13)15-8-7-12(17)10-14(15)16(19)20-4-2/h5-10H,3-4,11,17H2,1-2H3
InChIKeyGDDZMKWVRVWHKY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.07
Rot. Bonds6

About ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate

ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate (PubChem CID 61421320) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
PubChem CID61421320
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CC)Cc1ccco1
InChIInChI=1S/C16H20N2O3/c1-3-18(11-13-6-5-9-21-13)15-8-7-12(17)10-14(15)16(19)20-4-2/h5-10H,3-4,11,17H2,1-2H3
InChIKeyGDDZMKWVRVWHKY-UHFFFAOYSA-N
XLogP3.07
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-amino-2-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 62921611
ethyl 5-amino-2-[ethyl(2-methylbutyl)amino]benzoate
CID 79470096
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700
5-bromo-2-[ethyl(furan-2-ylmethyl)amino]benzenecarbothioamide
CID 114891439
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
CID 62302429
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate?
The IUPAC name of ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate (CID 61421320) is ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate is CCOC(=O)c1cc(N)ccc1N(CC)Cc1ccco1.
What is the InChIKey of ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate?
The InChIKey is GDDZMKWVRVWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-18(11-13-6-5-9-21-13)15-8-7-12(17)10-14(15)16(19)20-4-2/h5-10H,3-4,11,17H2,1-2H3.
What are the key properties of ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate?
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate has a molecular weight of 288.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate is sourced from PubChem (CID 61421320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).