(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

C16H22N4O2 — CID 9302665

IUPAC(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
SMILESCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N4O2/c1-4-9-18-15(21)11-20(3)12(2)16(22)19-14-8-6-5-7-13(14)10-17/h5-8,12H,4,9,11H2,1-3H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyCYJAENIVAYUPDS-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.34
Rot. Bonds7

About (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide (PubChem CID 9302665) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
PubChem CID9302665
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
SMILESCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N4O2/c1-4-9-18-15(21)11-20(3)12(2)16(22)19-14-8-6-5-7-13(14)10-17/h5-8,12H,4,9,11H2,1-3H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyCYJAENIVAYUPDS-GFCCVEGCSA-N
XLogP1.34
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351803
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302664
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide (CID 9302665) is (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide is CCCNC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The InChIKey is CYJAENIVAYUPDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-9-18-15(21)11-20(3)12(2)16(22)19-14-8-6-5-7-13(14)10-17/h5-8,12H,4,9,11H2,1-3H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide is sourced from PubChem (CID 9302665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).