N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide

C25H29N3O — CID 47056936

IUPACN-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(CC(=O)NC2(C#N)CCCC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C25H29N3O/c1-19-8-10-20(11-9-19)16-28(23-13-12-21-6-2-3-7-22(21)23)17-24(29)27-25(18-26)14-4-5-15-25/h2-3,6-11,23H,4-5,12-17H2,1H3,(H,27,29)
InChIKeyMOWGJVUHPHOSGM-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.44
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide

N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 47056936) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
PubChem CID47056936
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(CC(=O)NC2(C#N)CCCC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C25H29N3O/c1-19-8-10-20(11-9-19)16-28(23-13-12-21-6-2-3-7-22(21)23)17-24(29)27-25(18-26)14-4-5-15-25/h2-3,6-11,23H,4-5,12-17H2,1H3,(H,27,29)
InChIKeyMOWGJVUHPHOSGM-UHFFFAOYSA-N
XLogP4.44
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
CID 60514069
N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
CID 55840782
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60514088
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 47056938
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78900493
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
CID 111432016
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide (CID 47056936) is N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide is Cc1ccc(CN(CC(=O)NC2(C#N)CCCC2)C2CCc3ccccc32)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?
The InChIKey is MOWGJVUHPHOSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-19-8-10-20(11-9-19)16-28(23-13-12-21-6-2-3-7-22(21)23)17-24(29)27-25(18-26)14-4-5-15-25/h2-3,6-11,23H,4-5,12-17H2,1H3,(H,27,29).
What are the key properties of N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?
N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 387.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 47056936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).