N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide

C14H19N3O2 — CID 104554133

IUPACN-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
SMILESCC(CO)N(C)CC(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-12(11-18)16(2)10-14(19)17(9-8-15)13-6-4-3-5-7-13/h3-7,12,18H,9-11H2,1-2H3
InChIKeyZVXYVSXTONRMFJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.86
Rot. Bonds6

About N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide

N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide (PubChem CID 104554133) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
PubChem CID104554133
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
SMILESCC(CO)N(C)CC(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-12(11-18)16(2)10-14(19)17(9-8-15)13-6-4-3-5-7-13/h3-7,12,18H,9-11H2,1-2H3
InChIKeyZVXYVSXTONRMFJ-UHFFFAOYSA-N
XLogP0.86
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-[ethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 60685943
(2R)-2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 83194262
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
N-(cyanomethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016168
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 107485643
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
ethyl 2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 78760511
N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 102870235
N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
CID 51271554
N-(cyanomethyl)-2-(3,4-dihydroxypyrrolidin-1-yl)-N-phenylacetamide
CID 106672579
2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789852
2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81230784

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide (CID 104554133) is N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide is CC(CO)N(C)CC(=O)N(CC#N)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide?
The InChIKey is ZVXYVSXTONRMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-12(11-18)16(2)10-14(19)17(9-8-15)13-6-4-3-5-7-13/h3-7,12,18H,9-11H2,1-2H3.
What are the key properties of N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide?
N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide has a molecular weight of 261.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide is sourced from PubChem (CID 104554133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).