N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide

C19H27N3O — CID 94498516

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1
InChIInChI=1S/C19H27N3O/c1-18(2,3)17(14-8-6-5-7-9-14)21-12-16(23)22-19(4,13-20)15-10-11-15/h5-9,15,17,21H,10-12H2,1-4H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyWFKUUUXQBFTMNH-PKOBYXMFSA-N
MW313.44 g/mol
LogP3.17
Rot. Bonds6

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide (PubChem CID 94498516) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
PubChem CID94498516
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1
InChIInChI=1S/C19H27N3O/c1-18(2,3)17(14-8-6-5-7-9-14)21-12-16(23)22-19(4,13-20)15-10-11-15/h5-9,15,17,21H,10-12H2,1-4H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyWFKUUUXQBFTMNH-PKOBYXMFSA-N
XLogP3.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide with MolForge

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Related Compounds

N-(1-cyano-1-cyclopropylethyl)-2-[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 47070117
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
2-(2-benzylsulfanylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 42921588
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755557
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051298
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 86789657
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191540
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide (CID 94498516) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide is CC(C)(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide?
The InChIKey is WFKUUUXQBFTMNH-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H27N3O/c1-18(2,3)17(14-8-6-5-7-9-14)21-12-16(23)22-19(4,13-20)15-10-11-15/h5-9,15,17,21H,10-12H2,1-4H3,(H,22,23)/t17-,19+/m0/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide has a molecular weight of 313.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 94498516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).