2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide

C20H29N3O2 — CID 111432016

IUPAC2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
SMILESCC(C)C(CO)N(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-16(2)18(14-24)23(12-17-8-4-3-5-9-17)13-19(25)22-20(15-21)10-6-7-11-20/h3-5,8-9,16,18,24H,6-7,10-14H2,1-2H3,(H,22,25)
InChIKeyFBVVWOWMGCIHGN-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.46
Rot. Bonds8

About 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide

2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 111432016) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
PubChem CID111432016
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
SMILESCC(C)C(CO)N(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-16(2)18(14-24)23(12-17-8-4-3-5-9-17)13-19(25)22-20(15-21)10-6-7-11-20/h3-5,8-9,16,18,24H,6-7,10-14H2,1-2H3,(H,22,25)
InChIKeyFBVVWOWMGCIHGN-UHFFFAOYSA-N
XLogP2.46
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
CID 119146511
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 47064157
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

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide (CID 111432016) is 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide is CC(C)C(CO)N(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is FBVVWOWMGCIHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(2)18(14-24)23(12-17-8-4-3-5-9-17)13-19(25)22-20(15-21)10-6-7-11-20/h3-5,8-9,16,18,24H,6-7,10-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide?
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 111432016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).