(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide

C17H19N3O2 — CID 9102045

IUPAC(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)o1
InChIInChI=1S/C17H19N3O2/c1-12-7-8-16(22-12)11-20(3)13(2)17(21)19-15-6-4-5-14(9-15)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyWQBMGBZFLIPSAG-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.92
Rot. Bonds5

About (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide

(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (PubChem CID 9102045) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
PubChem CID9102045
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)o1
InChIInChI=1S/C17H19N3O2/c1-12-7-8-16(22-12)11-20(3)13(2)17(21)19-15-6-4-5-14(9-15)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyWQBMGBZFLIPSAG-CYBMUJFWSA-N
XLogP2.92
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 17436769
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
CID 17391982
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (CID 9102045) is (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)o1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The InChIKey is WQBMGBZFLIPSAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-7-8-16(22-12)11-20(3)13(2)17(21)19-15-6-4-5-14(9-15)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide has a molecular weight of 297.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9102045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).