[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

C19H26N3O3+ — CID 2530415

IUPAC[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESCC(=O)N[C@H](CC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1
InChIInChI=1S/C19H25N3O3/c1-14(23)21-16(15-8-5-4-6-9-15)12-19(24)20-13-17(22(2)3)18-10-7-11-25-18/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1/t16-,17-/m1/s1
InChIKeyINGNDLJQKMEYPE-IAGOWNOFSA-O
MW344.44 g/mol
LogP0.85
Rot. Bonds8

About [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium (PubChem CID 2530415) has the molecular formula C19H26N3O3+ and a molecular weight of 344.44 g/mol. Its IUPAC name is [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
PubChem CID2530415
Molecular FormulaC19H26N3O3+
Molecular Weight344.44 g/mol
Exact Mass344.20
IUPAC Name[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESCC(=O)N[C@H](CC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1
InChIInChI=1S/C19H25N3O3/c1-14(23)21-16(15-8-5-4-6-9-15)12-19(24)20-13-17(22(2)3)18-10-7-11-25-18/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1/t16-,17-/m1/s1
InChIKeyINGNDLJQKMEYPE-IAGOWNOFSA-O
XLogP0.85
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide
CID 51195684
3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
CID 119526217
[(1S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2481508
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946
[(1R)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501948
[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
CID 2550517

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium (CID 2530415) is [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium is CC(=O)N[C@H](CC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1.
What is the InChIKey of [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The InChIKey is INGNDLJQKMEYPE-IAGOWNOFSA-O. The full InChI is InChI=1S/C19H25N3O3/c1-14(23)21-16(15-8-5-4-6-9-15)12-19(24)20-13-17(22(2)3)18-10-7-11-25-18/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1/t16-,17-/m1/s1.
What are the key properties of [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium has a molecular weight of 344.44 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 2530415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).