N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide

C15H17N3O4 — CID 86987865

IUPACN-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C15H17N3O4/c1-10(19)17-11-4-2-5-12(8-11)18-15(21)16-9-13(20)14-6-3-7-22-14/h2-8,13,20H,9H2,1H3,(H,17,19)(H2,16,18,21)
InChIKeyQLWCUHTVZZZMDX-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.09
Rot. Bonds5

About N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide

N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide (PubChem CID 86987865) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
PubChem CID86987865
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C15H17N3O4/c1-10(19)17-11-4-2-5-12(8-11)18-15(21)16-9-13(20)14-6-3-7-22-14/h2-8,13,20H,9H2,1H3,(H,17,19)(H2,16,18,21)
InChIKeyQLWCUHTVZZZMDX-UHFFFAOYSA-N
XLogP2.09
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide (CID 86987865) is N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCC(O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
The InChIKey is QLWCUHTVZZZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10(19)17-11-4-2-5-12(8-11)18-15(21)16-9-13(20)14-6-3-7-22-14/h2-8,13,20H,9H2,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 86987865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).