3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide

C11H18N2O3 — CID 115180865

IUPAC3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(CCN(C)C(=O)C(O)CN)o1
InChIInChI=1S/C11H18N2O3/c1-8-3-4-9(16-8)5-6-13(2)11(15)10(14)7-12/h3-4,10,14H,5-7,12H2,1-2H3
InChIKeyCTJFLHQXEOLSHI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.09
Rot. Bonds5

About 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide

3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 115180865) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID115180865
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(CCN(C)C(=O)C(O)CN)o1
InChIInChI=1S/C11H18N2O3/c1-8-3-4-9(16-8)5-6-13(2)11(15)10(14)7-12/h3-4,10,14H,5-7,12H2,1-2H3
InChIKeyCTJFLHQXEOLSHI-UHFFFAOYSA-N
XLogP-0.09
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115187599
2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115188457
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 115180822
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanedioic acid
CID 115144679

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide (CID 115180865) is 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide is Cc1ccc(CCN(C)C(=O)C(O)CN)o1.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is CTJFLHQXEOLSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-3-4-9(16-8)5-6-13(2)11(15)10(14)7-12/h3-4,10,14H,5-7,12H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 115180865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).