[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium

C20H29N4O3+ — CID 9152013

IUPAC[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1
InChIInChI=1S/C20H28N4O3/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/p+1/t17-/m0/s1
InChIKeyFUZOVKGQNZAWGS-KRWDZBQOSA-O
MW373.48 g/mol
LogP1.10
Rot. Bonds8

About [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium

[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium (PubChem CID 9152013) has the molecular formula C20H29N4O3+ and a molecular weight of 373.48 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium
PubChem CID9152013
Molecular FormulaC20H29N4O3+
Molecular Weight373.48 g/mol
Exact Mass373.22
IUPAC Name[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1
InChIInChI=1S/C20H28N4O3/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/p+1/t17-/m0/s1
InChIKeyFUZOVKGQNZAWGS-KRWDZBQOSA-O
XLogP1.10
TPSA87.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium with MolForge

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9152019
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2533073
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
[(1S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2481508
N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9453639
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium (CID 9152013) is [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium is CC(C)NC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1.
What is the InChIKey of [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium?
The InChIKey is FUZOVKGQNZAWGS-KRWDZBQOSA-O. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/p+1/t17-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium?
[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium has a molecular weight of 373.48 g/mol, XLogP of 1.10, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 9152013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).