(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide

C17H22N2O2 — CID 104902855

IUPAC(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O2/c1-12(2)11-14(18)17(20)19-16(15-9-6-10-21-15)13-7-4-3-5-8-13/h3-10,12,14,16H,11,18H2,1-2H3,(H,19,20)/t14-,16?/m1/s1
InChIKeySMWFIYWUDZAPGY-IURRXHLWSA-N
MW286.38 g/mol
LogP2.86
Rot. Bonds6

About (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide

(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide (PubChem CID 104902855) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
PubChem CID104902855
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O2/c1-12(2)11-14(18)17(20)19-16(15-9-6-10-21-15)13-7-4-3-5-8-13/h3-10,12,14,16H,11,18H2,1-2H3,(H,19,20)/t14-,16?/m1/s1
InChIKeySMWFIYWUDZAPGY-IURRXHLWSA-N
XLogP2.86
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 61180250
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
CID 65225161
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454135
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide (CID 104902855) is (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide?
The InChIKey is SMWFIYWUDZAPGY-IURRXHLWSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)11-14(18)17(20)19-16(15-9-6-10-21-15)13-7-4-3-5-8-13/h3-10,12,14,16H,11,18H2,1-2H3,(H,19,20)/t14-,16?/m1/s1.
What are the key properties of (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide?
(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 104902855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).