N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

C15H26N4O2 — CID 95345333

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(C)C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1
InChIInChI=1S/C15H26N4O2/c1-15(11-16,12-4-5-12)17-14(20)10-19-6-7-21-13(9-19)8-18(2)3/h12-13H,4-10H2,1-3H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyHNHYFNKEAUHAKA-UKRRQHHQSA-N
MW294.40 g/mol
LogP0.06
Rot. Bonds6

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 95345333) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
PubChem CID95345333
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(C)C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1
InChIInChI=1S/C15H26N4O2/c1-15(11-16,12-4-5-12)17-14(20)10-19-6-7-21-13(9-19)8-18(2)3/h12-13H,4-10H2,1-3H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyHNHYFNKEAUHAKA-UKRRQHHQSA-N
XLogP0.06
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide with MolForge

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Related Compounds

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 11923830
N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611845
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
4-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37193746
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95308961
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone
CID 100843897
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 98768752
2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
CID 78946382
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95348606
N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780742

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (CID 95345333) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is CN(C)C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is HNHYFNKEAUHAKA-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(11-16,12-4-5-12)17-14(20)10-19-6-7-21-13(9-19)8-18(2)3/h12-13H,4-10H2,1-3H3,(H,17,20)/t13-,15-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 95345333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).