4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

C22H26Cl2N2O2 — CID 55826912

IUPAC4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O2/c1-25(22(27)4-2-3-17-7-10-20(23)21(24)15-17)16-18-5-8-19(9-6-18)26-11-13-28-14-12-26/h5-10,15H,2-4,11-14,16H2,1H3
InChIKeyJLXJNNWEMSMGAY-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.81
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (PubChem CID 55826912) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
PubChem CID55826912
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O2/c1-25(22(27)4-2-3-17-7-10-20(23)21(24)15-17)16-18-5-8-19(9-6-18)26-11-13-28-14-12-26/h5-10,15H,2-4,11-14,16H2,1H3
InChIKeyJLXJNNWEMSMGAY-UHFFFAOYSA-N
XLogP4.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 24516673
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 35188399
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 70421787
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (CID 55826912) is 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is JLXJNNWEMSMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-25(22(27)4-2-3-17-7-10-20(23)21(24)15-17)16-18-5-8-19(9-6-18)26-11-13-28-14-12-26/h5-10,15H,2-4,11-14,16H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 421.37 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 55826912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).