4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide

C17H26ClN3O3 — CID 10689599

IUPAC4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCC1(N(C)C)CCOCC1
InChIInChI=1S/C17H26ClN3O3/c1-21(2)17(5-8-24-9-6-17)4-7-20-16(22)12-10-13(18)14(19)11-15(12)23-3/h10-11H,4-9,19H2,1-3H3,(H,20,22)
InChIKeyWISWDQURQKGAHU-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.16
Rot. Bonds6

About 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide (PubChem CID 10689599) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
PubChem CID10689599
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCC1(N(C)C)CCOCC1
InChIInChI=1S/C17H26ClN3O3/c1-21(2)17(5-8-24-9-6-17)4-7-20-16(22)12-10-13(18)14(19)11-15(12)23-3/h10-11H,4-9,19H2,1-3H3,(H,20,22)
InChIKeyWISWDQURQKGAHU-UHFFFAOYSA-N
XLogP2.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 119756204
4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide (CID 10689599) is 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCC1(N(C)C)CCOCC1.
What is the InChIKey of 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide?
The InChIKey is WISWDQURQKGAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-21(2)17(5-8-24-9-6-17)4-7-20-16(22)12-10-13(18)14(19)11-15(12)23-3/h10-11H,4-9,19H2,1-3H3,(H,20,22).
What are the key properties of 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide has a molecular weight of 355.87 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 10689599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).