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

C27H29N3O3 — CID 110233157

IUPACN,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2cccnc2)CCO1
InChIInChI=1S/C27H29N3O3/c1-29(2)26(32)27(18-21-8-6-12-24(16-21)23-10-4-3-5-11-23)20-30(14-15-33-27)25(31)17-22-9-7-13-28-19-22/h3-13,16,19H,14-15,17-18,20H2,1-2H3
InChIKeyDDBOKJYOZPSWDL-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.22
Rot. Bonds6

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

N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide (PubChem CID 110233157) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
PubChem CID110233157
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2cccnc2)CCO1
InChIInChI=1S/C27H29N3O3/c1-29(2)26(32)27(18-21-8-6-12-24(16-21)23-10-4-3-5-11-23)20-30(14-15-33-27)25(31)17-22-9-7-13-28-19-22/h3-13,16,19H,14-15,17-18,20H2,1-2H3
InChIKeyDDBOKJYOZPSWDL-UHFFFAOYSA-N
XLogP3.22
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.22
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)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605600
4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233158
(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605794
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
CID 92605767
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide (CID 110233157) is N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide is CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2cccnc2)CCO1.
What is the InChIKey of N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide?
The InChIKey is DDBOKJYOZPSWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-29(2)26(32)27(18-21-8-6-12-24(16-21)23-10-4-3-5-11-23)20-30(14-15-33-27)25(31)17-22-9-7-13-28-19-22/h3-13,16,19H,14-15,17-18,20H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide?
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide is sourced from PubChem (CID 110233157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).