3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide

C15H18N2O2 — CID 62879092

IUPAC3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
SMILESCc1ccc(CNC(=O)C(CN)c2ccccc2)o1
InChIInChI=1S/C15H18N2O2/c1-11-7-8-13(19-11)10-17-15(18)14(9-16)12-5-3-2-4-6-12/h2-8,14H,9-10,16H2,1H3,(H,17,18)
InChIKeyUSRVQCDNOLLQLV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide

3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide (PubChem CID 62879092) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
PubChem CID62879092
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
SMILESCc1ccc(CNC(=O)C(CN)c2ccccc2)o1
InChIInChI=1S/C15H18N2O2/c1-11-7-8-13(19-11)10-17-15(18)14(9-16)12-5-3-2-4-6-12/h2-8,14H,9-10,16H2,1H3,(H,17,18)
InChIKeyUSRVQCDNOLLQLV-UHFFFAOYSA-N
XLogP1.95
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
3-amino-2-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylidenepropanamide
CID 62524742
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 82012174
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide (CID 62879092) is 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide is Cc1ccc(CNC(=O)C(CN)c2ccccc2)o1.
What is the InChIKey of 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
The InChIKey is USRVQCDNOLLQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-7-8-13(19-11)10-17-15(18)14(9-16)12-5-3-2-4-6-12/h2-8,14H,9-10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 62879092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).