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

C24H30N2O4 — CID 110233158

IUPAC4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCOCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O4/c1-25(2)23(28)24(18-26(13-15-30-24)22(27)12-14-29-3)17-19-8-7-11-21(16-19)20-9-5-4-6-10-20/h4-11,16H,12-15,17-18H2,1-3H3
InChIKeyGCBWQFNKBWLEQF-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.62
Rot. Bonds7

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

4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110233158) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110233158
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCOCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O4/c1-25(2)23(28)24(18-26(13-15-30-24)22(27)12-14-29-3)17-19-8-7-11-21(16-19)20-9-5-4-6-10-20/h4-11,16H,12-15,17-18H2,1-3H3
InChIKeyGCBWQFNKBWLEQF-UHFFFAOYSA-N
XLogP2.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
(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
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
CID 92605767
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951
(2S)-4-(2-methoxyacetyl)-N,N-dimethyl-2-[(4-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605651
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (CID 110233158) is 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is COCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1.
What is the InChIKey of 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is GCBWQFNKBWLEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-25(2)23(28)24(18-26(13-15-30-24)22(27)12-14-29-3)17-19-8-7-11-21(16-19)20-9-5-4-6-10-20/h4-11,16H,12-15,17-18H2,1-3H3.
What are the key properties of 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110233158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).