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

C17H19N3O2 — CID 9102232

IUPAC(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)o1
InChIInChI=1S/C17H19N3O2/c1-12-8-9-15(22-12)11-20(3)13(2)17(21)19-16-7-5-4-6-14(16)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyQEUUXYKQWIGPHZ-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.92
Rot. Bonds5

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

(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (PubChem CID 9102232) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
PubChem CID9102232
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)o1
InChIInChI=1S/C17H19N3O2/c1-12-8-9-15(22-12)11-20(3)13(2)17(21)19-16-7-5-4-6-14(16)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyQEUUXYKQWIGPHZ-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

(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 9102051
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 9298914
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)propanamide
CID 17491400
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (CID 9102232) is (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)o1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The InChIKey is QEUUXYKQWIGPHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-8-9-15(22-12)11-20(3)13(2)17(21)19-16-7-5-4-6-14(16)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
(2R)-N-(2-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-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9102232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).