2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide

C18H23N3O2 — CID 108924164

IUPAC2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c19-10-9-17(22)20-13-15-7-4-8-16(11-15)21-18(23)12-14-5-2-1-3-6-14/h4,7-8,11,14H,1-3,5-6,9,12-13H2,(H,20,22)(H,21,23)
InChIKeyFTSYROOZTIURNA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.13
Rot. Bonds6

About 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide

2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide (PubChem CID 108924164) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
PubChem CID108924164
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c19-10-9-17(22)20-13-15-7-4-8-16(11-15)21-18(23)12-14-5-2-1-3-6-14/h4,7-8,11,14H,1-3,5-6,9,12-13H2,(H,20,22)(H,21,23)
InChIKeyFTSYROOZTIURNA-UHFFFAOYSA-N
XLogP3.13
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108924219
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
N-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923902
2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
CID 108924222
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
tert-butyl N-[3-[[3-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921459
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108924095

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide (CID 108924164) is 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide is N#CCC(=O)NCc1cccc(NC(=O)CC2CCCCC2)c1.
What is the InChIKey of 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide?
The InChIKey is FTSYROOZTIURNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-10-9-17(22)20-13-15-7-4-8-16(11-15)21-18(23)12-14-5-2-1-3-6-14/h4,7-8,11,14H,1-3,5-6,9,12-13H2,(H,20,22)(H,21,23).
What are the key properties of 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide?
2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108924164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).