4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

C24H30N2O3 — CID 110233150

IUPAC4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O3/c1-4-9-22(27)26-14-15-29-24(18-26,23(28)25(2)3)17-19-10-8-13-21(16-19)20-11-6-5-7-12-20/h5-8,10-13,16H,4,9,14-15,17-18H2,1-3H3
InChIKeyRQXYLFMCGWGZLB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.38
Rot. Bonds6

About 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110233150) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110233150
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O3/c1-4-9-22(27)26-14-15-29-24(18-26,23(28)25(2)3)17-19-10-8-13-21(16-19)20-11-6-5-7-12-20/h5-8,10-13,16H,4,9,14-15,17-18H2,1-3H3
InChIKeyRQXYLFMCGWGZLB-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233158
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605600
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
CID 92605767
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92586577
4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (CID 110233150) is 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is CCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1.
What is the InChIKey of 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is RQXYLFMCGWGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-9-22(27)26-14-15-29-24(18-26,23(28)25(2)3)17-19-10-8-13-21(16-19)20-11-6-5-7-12-20/h5-8,10-13,16H,4,9,14-15,17-18H2,1-3H3.
What are the key properties of 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110233150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).