N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide

C19H27N3O2 — CID 51106356

IUPACN-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
SMILESCC(O)CN(CC(=O)NC1(C#N)CCCCCC1)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-16(23)13-22(17-9-5-4-6-10-17)14-18(24)21-19(15-20)11-7-2-3-8-12-19/h4-6,9-10,16,23H,2-3,7-8,11-14H2,1H3,(H,21,24)
InChIKeyZBRDFALPSIKRMX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.61
Rot. Bonds6

About N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide

N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide (PubChem CID 51106356) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
PubChem CID51106356
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
SMILESCC(O)CN(CC(=O)NC1(C#N)CCCCCC1)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-16(23)13-22(17-9-5-4-6-10-17)14-18(24)21-19(15-20)11-7-2-3-8-12-19/h4-6,9-10,16,23H,2-3,7-8,11-14H2,1H3,(H,21,24)
InChIKeyZBRDFALPSIKRMX-UHFFFAOYSA-N
XLogP2.61
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 47064157
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
CID 111432016
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
CID 18270422

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide (CID 51106356) is N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide is CC(O)CN(CC(=O)NC1(C#N)CCCCCC1)c1ccccc1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
The InChIKey is ZBRDFALPSIKRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16(23)13-22(17-9-5-4-6-10-17)14-18(24)21-19(15-20)11-7-2-3-8-12-19/h4-6,9-10,16,23H,2-3,7-8,11-14H2,1H3,(H,21,24).
What are the key properties of N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide?
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide has a molecular weight of 329.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide is sourced from PubChem (CID 51106356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).