N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide

C19H27N3O2 — CID 95158339

IUPACN-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
SMILESCOc1ccc(C[C@@H](C)N(C)CC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-15(12-16-6-8-17(24-3)9-7-16)22(2)13-18(23)21-19(14-20)10-4-5-11-19/h6-9,15H,4-5,10-13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyWZXVLUAQEWQUJM-OAHLLOKOSA-N
MW329.44 g/mol
LogP2.51
Rot. Bonds7

About N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide

N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide (PubChem CID 95158339) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
PubChem CID95158339
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
SMILESCOc1ccc(C[C@@H](C)N(C)CC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-15(12-16-6-8-17(24-3)9-7-16)22(2)13-18(23)21-19(14-20)10-4-5-11-19/h6-9,15H,4-5,10-13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyWZXVLUAQEWQUJM-OAHLLOKOSA-N
XLogP2.51
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 18171130
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2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
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N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 87017619
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95623570
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide (CID 95158339) is N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide is COc1ccc(C[C@@H](C)N(C)CC(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide?
The InChIKey is WZXVLUAQEWQUJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(12-16-6-8-17(24-3)9-7-16)22(2)13-18(23)21-19(14-20)10-4-5-11-19/h6-9,15H,4-5,10-13H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide?
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide has a molecular weight of 329.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 95158339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).