2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid

C15H16N2O4 — CID 25219998

IUPAC2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C15H16N2O4/c18-14(16-9-13-7-4-8-21-13)10-17(11-15(19)20)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,18)(H,19,20)
InChIKeyDUVAZEKEUADJEQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.49
Rot. Bonds7

About 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid

2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid (PubChem CID 25219998) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
PubChem CID25219998
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C15H16N2O4/c18-14(16-9-13-7-4-8-21-13)10-17(11-15(19)20)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,18)(H,19,20)
InChIKeyDUVAZEKEUADJEQ-UHFFFAOYSA-N
XLogP1.49
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276164
N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106343
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
CID 39351607
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid (CID 25219998) is 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid is O=C(O)CN(CC(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid?
The InChIKey is DUVAZEKEUADJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(16-9-13-7-4-8-21-13)10-17(11-15(19)20)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,18)(H,19,20).
What are the key properties of 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid?
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 25219998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).