4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

C16H25N3O3 — CID 51098419

IUPAC4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-18(2)14-8-6-13(7-9-14)16(21)19(3)12-15(20)17-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,17,20)
InChIKeyAUTSPMNVFRSICL-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.98
Rot. Bonds8

About 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 51098419) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID51098419
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-18(2)14-8-6-13(7-9-14)16(21)19(3)12-15(20)17-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,17,20)
InChIKeyAUTSPMNVFRSICL-UHFFFAOYSA-N
XLogP0.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 55488005
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103734742
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (CID 51098419) is 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is COCCCNC(=O)CN(C)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is AUTSPMNVFRSICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18(2)14-8-6-13(7-9-14)16(21)19(3)12-15(20)17-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,17,20).
What are the key properties of 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 307.39 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 51098419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).