N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide

C17H21N3O4 — CID 51106343

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
SMILESCC(O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-13(21)11-20(14-6-3-2-4-7-14)12-16(22)19-17(23)18-10-15-8-5-9-24-15/h2-9,13,21H,10-12H2,1H3,(H2,18,19,22,23)
InChIKeyDXVRAZHOSXDADB-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.49
Rot. Bonds7

About N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide (PubChem CID 51106343) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
PubChem CID51106343
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
SMILESCC(O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-13(21)11-20(14-6-3-2-4-7-14)12-16(22)19-17(23)18-10-15-8-5-9-24-15/h2-9,13,21H,10-12H2,1H3,(H2,18,19,22,23)
InChIKeyDXVRAZHOSXDADB-UHFFFAOYSA-N
XLogP1.49
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
N-(4-acetamidophenyl)-2-[ethyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 8779537
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
CID 8919816

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide (CID 51106343) is N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide is CC(O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
The InChIKey is DXVRAZHOSXDADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-13(21)11-20(14-6-3-2-4-7-14)12-16(22)19-17(23)18-10-15-8-5-9-24-15/h2-9,13,21H,10-12H2,1H3,(H2,18,19,22,23).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide is sourced from PubChem (CID 51106343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).