(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide

C24H30N2O3 — CID 92561025

IUPAC(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)CC(C)C)CCO3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)13-22(27)26-11-12-29-24(16-26,23(25)28)15-19-7-9-20(10-8-19)21-6-4-5-18(3)14-21/h4-10,14,17H,11-13,15-16H2,1-3H3,(H2,25,28)/t24-/m1/s1
InChIKeyZKRDDPXGZDFBQA-XMMPIXPASA-N
MW394.52 g/mol
LogP3.33
Rot. Bonds6

About (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide

(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 92561025) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID92561025
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)CC(C)C)CCO3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)13-22(27)26-11-12-29-24(16-26,23(25)28)15-19-7-9-20(10-8-19)21-6-4-5-18(3)14-21/h4-10,14,17H,11-13,15-16H2,1-3H3,(H2,25,28)/t24-/m1/s1
InChIKeyZKRDDPXGZDFBQA-XMMPIXPASA-N
XLogP3.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.33
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-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561011
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92586577
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 95848920
(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
CID 92558351

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (CID 92561025) is (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is Cc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)CC(C)C)CCO3)cc2)c1.
What is the InChIKey of (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is ZKRDDPXGZDFBQA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)13-22(27)26-11-12-29-24(16-26,23(25)28)15-19-7-9-20(10-8-19)21-6-4-5-18(3)14-21/h4-10,14,17H,11-13,15-16H2,1-3H3,(H2,25,28)/t24-/m1/s1.
What are the key properties of (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92561025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).