N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C17H27N3O5 — CID 112991569

IUPACN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-20(2)8-6-7-18-15(21)11-19-17(22)12-9-13(23-3)16(25-5)14(10-12)24-4/h9-10H,6-8,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyFXBWPNPVTFHSOM-UHFFFAOYSA-N
MW353.42 g/mol
LogP0.51
Rot. Bonds10

About N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 112991569) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID112991569
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC NameN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-20(2)8-6-7-18-15(21)11-19-17(22)12-9-13(23-3)16(25-5)14(10-12)24-4/h9-10H,6-8,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyFXBWPNPVTFHSOM-UHFFFAOYSA-N
XLogP0.51
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
3-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]amino]ethyldisulfanyl]propanoic acid
CID 166425184
tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801
N-[2-(dimethylamino)ethylcarbamothioyl]-3,4,5-trimethoxybenzamide
CID 2314305
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 112991569) is N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)NCCCN(C)C)cc(OC)c1OC.
What is the InChIKey of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is FXBWPNPVTFHSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-20(2)8-6-7-18-15(21)11-19-17(22)12-9-13(23-3)16(25-5)14(10-12)24-4/h9-10H,6-8,11H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 0.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 112991569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).