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

C23H29N3O3 — CID 110232870

IUPAC4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H29N3O3/c1-4-8-21(27)26-13-14-29-23(17-26,22(28)25(2)3)15-18-9-5-6-11-20(18)19-10-7-12-24-16-19/h5-7,9-12,16H,4,8,13-15,17H2,1-3H3
InChIKeyBFKAZSDYHUQQEG-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.78
Rot. Bonds6

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

4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232870) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232870
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H29N3O3/c1-4-8-21(27)26-13-14-29-23(17-26,22(28)25(2)3)15-18-9-5-6-11-20(18)19-10-7-12-24-16-19/h5-7,9-12,16H,4,8,13-15,17H2,1-3H3
InChIKeyBFKAZSDYHUQQEG-UHFFFAOYSA-N
XLogP2.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871
4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232934
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605696
4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232865

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232870) is 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CCCC(=O)N1CCOC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1.
What is the InChIKey of 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is BFKAZSDYHUQQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-8-21(27)26-13-14-29-23(17-26,22(28)25(2)3)15-18-9-5-6-11-20(18)19-10-7-12-24-16-19/h5-7,9-12,16H,4,8,13-15,17H2,1-3H3.
What are the key properties of 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).