N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide

C16H21N3O2 — CID 102870235

IUPACN-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
SMILESN#CCN(C(=O)CN(CCO)C1CCC1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c17-9-10-19(15-5-2-1-3-6-15)16(21)13-18(11-12-20)14-7-4-8-14/h1-3,5-6,14,20H,4,7-8,10-13H2
InChIKeyJAIJJXGGQYBYQN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.39
Rot. Bonds7

About N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide

N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide (PubChem CID 102870235) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
PubChem CID102870235
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
SMILESN#CCN(C(=O)CN(CCO)C1CCC1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c17-9-10-19(15-5-2-1-3-6-15)16(21)13-18(11-12-20)14-7-4-8-14/h1-3,5-6,14,20H,4,7-8,10-13H2
InChIKeyJAIJJXGGQYBYQN-UHFFFAOYSA-N
XLogP1.39
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.39
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
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 107485643
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-(cyanomethyl)-2-(3,4-dihydroxypyrrolidin-1-yl)-N-phenylacetamide
CID 106672579
N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
CID 104554133
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 102677010
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 7958845
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 102984942
N-[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 102870028
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
2-[1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616094

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide (CID 102870235) is N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide is N#CCN(C(=O)CN(CCO)C1CCC1)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide?
The InChIKey is JAIJJXGGQYBYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-9-10-19(15-5-2-1-3-6-15)16(21)13-18(11-12-20)14-7-4-8-14/h1-3,5-6,14,20H,4,7-8,10-13H2.
What are the key properties of N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide?
N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 102870235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).