(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide

C22H26N2O3 — CID 92586577

IUPAC(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCO[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1
InChIInChI=1S/C22H26N2O3/c1-2-6-20(25)24-13-14-27-22(16-24,21(23)26)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,23,26)/t22-/m1/s1
InChIKeyATUYZLBBSIGTSB-JOCHJYFZSA-N
MW366.46 g/mol
LogP2.78
Rot. Bonds6

About (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide

(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92586577) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92586577
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCO[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1
InChIInChI=1S/C22H26N2O3/c1-2-6-20(25)24-13-14-27-22(16-24,21(23)26)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,23,26)/t22-/m1/s1
InChIKeyATUYZLBBSIGTSB-JOCHJYFZSA-N
XLogP2.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131
4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92601214
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561025
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561011
(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92575352

Frequently Asked Questions

What is the IUPAC name of (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide (CID 92586577) is (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide is CCCC(=O)N1CCO[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1.
What is the InChIKey of (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is ATUYZLBBSIGTSB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-6-20(25)24-13-14-27-22(16-24,21(23)26)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,23,26)/t22-/m1/s1.
What are the key properties of (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92586577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).