4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile

C17H22N2O2 — CID 78967635

IUPAC4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
SMILESCCC(C)C(C(=O)N1CCOC(C#N)C1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-3-13(2)16(14-7-5-4-6-8-14)17(20)19-9-10-21-15(11-18)12-19/h4-8,13,15-16H,3,9-10,12H2,1-2H3
InChIKeyBDKXZJUSGMYCIF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.57
Rot. Bonds4

About 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile

4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile (PubChem CID 78967635) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
PubChem CID78967635
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
SMILESCCC(C)C(C(=O)N1CCOC(C#N)C1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-3-13(2)16(14-7-5-4-6-8-14)17(20)19-9-10-21-15(11-18)12-19/h4-8,13,15-16H,3,9-10,12H2,1-2H3
InChIKeyBDKXZJUSGMYCIF-UHFFFAOYSA-N
XLogP2.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
4-(3-phenyl-2-sulfanylpropanoyl)morpholine-2-carbonitrile
CID 107032226
1-(3-bromopyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 80677803
(2S,3S)-2-[(2-cyanomorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 79676734
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
CID 71421335
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile (CID 78967635) is 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile is CCC(C)C(C(=O)N1CCOC(C#N)C1)c1ccccc1.
What is the InChIKey of 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile?
The InChIKey is BDKXZJUSGMYCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-13(2)16(14-7-5-4-6-8-14)17(20)19-9-10-21-15(11-18)12-19/h4-8,13,15-16H,3,9-10,12H2,1-2H3.
What are the key properties of 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile?
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78967635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).