2-amino-N-(5-methylfuran-2-yl)propanamide

C8H12N2O2 — CID 115152249

IUPAC2-amino-N-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N)o1
InChIInChI=1S/C8H12N2O2/c1-5-3-4-7(12-5)10-8(11)6(2)9/h3-4,6H,9H2,1-2H3,(H,10,11)
InChIKeyUQXISOXWYDKGEV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.87
Rot. Bonds2

About 2-amino-N-(5-methylfuran-2-yl)propanamide

2-amino-N-(5-methylfuran-2-yl)propanamide (PubChem CID 115152249) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-N-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(5-methylfuran-2-yl)propanamide
PubChem CID115152249
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-amino-N-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N)o1
InChIInChI=1S/C8H12N2O2/c1-5-3-4-7(12-5)10-8(11)6(2)9/h3-4,6H,9H2,1-2H3,(H,10,11)
InChIKeyUQXISOXWYDKGEV-UHFFFAOYSA-N
XLogP0.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(5-methylfuran-2-yl)propanamide
CID 115138791
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(5-methylfuran-2-yl)hydrazine
CID 116964871
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185551
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methylfuran-2-yl)propanamide?
The IUPAC name of 2-amino-N-(5-methylfuran-2-yl)propanamide (CID 115152249) is 2-amino-N-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for 2-amino-N-(5-methylfuran-2-yl)propanamide is Cc1ccc(NC(=O)C(C)N)o1.
What is the InChIKey of 2-amino-N-(5-methylfuran-2-yl)propanamide?
The InChIKey is UQXISOXWYDKGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-3-4-7(12-5)10-8(11)6(2)9/h3-4,6H,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-N-(5-methylfuran-2-yl)propanamide?
2-amino-N-(5-methylfuran-2-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 115152249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).