N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide

C20H25N3O — CID 124832179

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
SMILESC[C@](C#N)(NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21)C1CC1
InChIInChI=1S/C20H25N3O/c1-20(13-21,15-7-8-15)22-19(24)12-23(16-9-10-16)18-11-6-14-4-2-3-5-17(14)18/h2-5,15-16,18H,6-12H2,1H3,(H,22,24)/t18-,20+/m0/s1
InChIKeyDMKMPEMNQUVXEG-AZUAARDMSA-N
MW323.44 g/mol
LogP2.95
Rot. Bonds6

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide (PubChem CID 124832179) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
PubChem CID124832179
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
SMILESC[C@](C#N)(NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21)C1CC1
InChIInChI=1S/C20H25N3O/c1-20(13-21,15-7-8-15)22-19(24)12-23(16-9-10-16)18-11-6-14-4-2-3-5-17(14)18/h2-5,15-16,18H,6-12H2,1H3,(H,22,24)/t18-,20+/m0/s1
InChIKeyDMKMPEMNQUVXEG-AZUAARDMSA-N
XLogP2.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 51097225
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CID 40821789
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993
2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 8004820
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 95164536
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 96998431
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 95044031
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
N-(tert-butylcarbamoyl)-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 134043055
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide
CID 154748560

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide (CID 124832179) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide is C[C@](C#N)(NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21)C1CC1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide?
The InChIKey is DMKMPEMNQUVXEG-AZUAARDMSA-N. The full InChI is InChI=1S/C20H25N3O/c1-20(13-21,15-7-8-15)22-19(24)12-23(16-9-10-16)18-11-6-14-4-2-3-5-17(14)18/h2-5,15-16,18H,6-12H2,1H3,(H,22,24)/t18-,20+/m0/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide is sourced from PubChem (CID 124832179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).