4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide

C18H26ClN3O4 — CID 122562275

IUPAC4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
SMILESCCCOc1ccc(Cl)cc1CNC(=O)N1CCOC(C(=O)N(C)C)C1
InChIInChI=1S/C18H26ClN3O4/c1-4-8-25-15-6-5-14(19)10-13(15)11-20-18(24)22-7-9-26-16(12-22)17(23)21(2)3/h5-6,10,16H,4,7-9,11-12H2,1-3H3,(H,20,24)
InChIKeyPOKNIHFDAYCWAD-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.13
Rot. Bonds6

About 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide

4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide (PubChem CID 122562275) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
PubChem CID122562275
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
SMILESCCCOc1ccc(Cl)cc1CNC(=O)N1CCOC(C(=O)N(C)C)C1
InChIInChI=1S/C18H26ClN3O4/c1-4-8-25-15-6-5-14(19)10-13(15)11-20-18(24)22-7-9-26-16(12-22)17(23)21(2)3/h5-6,10,16H,4,7-9,11-12H2,1-3H3,(H,20,24)
InChIKeyPOKNIHFDAYCWAD-UHFFFAOYSA-N
XLogP2.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide with MolForge

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Related Compounds

(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 126447521
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
CID 125435853
(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
CID 126452811
N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892218
N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
CID 119071472
N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154900518
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122560980
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
1-[(4-chloro-2-ethoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007640

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide (CID 122562275) is 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide is CCCOc1ccc(Cl)cc1CNC(=O)N1CCOC(C(=O)N(C)C)C1.
What is the InChIKey of 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
The InChIKey is POKNIHFDAYCWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c1-4-8-25-15-6-5-14(19)10-13(15)11-20-18(24)22-7-9-26-16(12-22)17(23)21(2)3/h5-6,10,16H,4,7-9,11-12H2,1-3H3,(H,20,24).
What are the key properties of 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide has a molecular weight of 383.88 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide is sourced from PubChem (CID 122562275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).