N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide

C19H27N3O2 — CID 111489945

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C#N)C1CC1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C19H27N3O2/c1-4-22(11-17(23)15-7-5-14(2)6-8-15)12-18(24)21-19(3,13-20)16-9-10-16/h5-8,16-17,23H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyQOQBGMPQBGPINM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.16
Rot. Bonds8

About N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide (PubChem CID 111489945) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
PubChem CID111489945
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C#N)C1CC1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C19H27N3O2/c1-4-22(11-17(23)15-7-5-14(2)6-8-15)12-18(24)21-19(3,13-20)16-9-10-16/h5-8,16-17,23H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyQOQBGMPQBGPINM-UHFFFAOYSA-N
XLogP2.16
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
CID 111489932
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497107
methyl 3-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62028107
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
CID 37473194
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485470
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[N-(2,2-dimethylpropyl)-4-fluoroanilino]acetamide
CID 97070755
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7169731

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide (CID 111489945) is N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide is CCN(CC(=O)NC(C)(C#N)C1CC1)CC(O)c1ccc(C)cc1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The InChIKey is QOQBGMPQBGPINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-22(11-17(23)15-7-5-14(2)6-8-15)12-18(24)21-19(3,13-20)16-9-10-16/h5-8,16-17,23H,4,9-12H2,1-3H3,(H,21,24).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide has a molecular weight of 329.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 111489945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).