N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide

C15H24N2O4 — CID 2315964

IUPACN-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-12(19-3)14(21-5)13(10-11)20-4/h9-10H,6-8H2,1-5H3,(H,16,18)
InChIKeyZKPDTRSZIILDMM-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.39
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide (PubChem CID 2315964) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
PubChem CID2315964
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-12(19-3)14(21-5)13(10-11)20-4/h9-10H,6-8H2,1-5H3,(H,16,18)
InChIKeyZKPDTRSZIILDMM-UHFFFAOYSA-N
XLogP1.39
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
N-[2-(dimethylamino)ethylcarbamothioyl]-3,4,5-trimethoxybenzamide
CID 2314305
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide (CID 2315964) is N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCCN(C)C)cc(OC)c1OC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZKPDTRSZIILDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-12(19-3)14(21-5)13(10-11)20-4/h9-10H,6-8H2,1-5H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide?
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2315964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).