N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C15H23N3O4 — CID 112991429

IUPACN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCN(C)C)cc1OC
InChIInChI=1S/C15H23N3O4/c1-18(2)8-7-16-14(19)10-17-15(20)11-5-6-12(21-3)13(9-11)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyVGKNKHSICCGQRF-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.11
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 112991429) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID112991429
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCN(C)C)cc1OC
InChIInChI=1S/C15H23N3O4/c1-18(2)8-7-16-14(19)10-17-15(20)11-5-6-12(21-3)13(9-11)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyVGKNKHSICCGQRF-UHFFFAOYSA-N
XLogP0.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 60614192
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 112991429) is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCCN(C)C)cc1OC.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is VGKNKHSICCGQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-18(2)8-7-16-14(19)10-17-15(20)11-5-6-12(21-3)13(9-11)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 309.37 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 112991429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).