[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C17H22N3O3+ — CID 9102283

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C17H21N3O3/c1-11-4-9-15(23-11)10-20(3)12(2)17(22)19-14-7-5-13(6-8-14)16(18)21/h4-9,12H,10H2,1-3H3,(H2,18,21)(H,19,22)/p+1/t12-/m1/s1
InChIKeyOURXSESTZLAVRO-GFCCVEGCSA-O
MW316.38 g/mol
LogP0.73
Rot. Bonds6

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 9102283) has the molecular formula C17H22N3O3+ and a molecular weight of 316.38 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID9102283
Molecular FormulaC17H22N3O3+
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C17H21N3O3/c1-11-4-9-15(23-11)10-20(3)12(2)17(22)19-14-7-5-13(6-8-14)16(18)21/h4-9,12H,10H2,1-3H3,(H2,18,21)(H,19,22)/p+1/t12-/m1/s1
InChIKeyOURXSESTZLAVRO-GFCCVEGCSA-O
XLogP0.73
TPSA89.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
CID 8558484
[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium
CID 9332217
4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905747
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003362
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 9102283) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is OURXSESTZLAVRO-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H21N3O3/c1-11-4-9-15(23-11)10-20(3)12(2)17(22)19-14-7-5-13(6-8-14)16(18)21/h4-9,12H,10H2,1-3H3,(H2,18,21)(H,19,22)/p+1/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 316.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 9102283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).