N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide

C17H27N3O5 — CID 3593898

IUPACN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCC(=O)NCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-20(2)9-8-18-15(21)6-7-19-17(22)12-10-13(23-3)16(25-5)14(11-12)24-4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyPXAZDYAATLDSKR-UHFFFAOYSA-N
MW353.42 g/mol
LogP0.51
Rot. Bonds10

About N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide

N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide (PubChem CID 3593898) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
PubChem CID3593898
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCC(=O)NCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-20(2)9-8-18-15(21)6-7-19-17(22)12-10-13(23-3)16(25-5)14(11-12)24-4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyPXAZDYAATLDSKR-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

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Related Compounds

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
N-[2-(dimethylamino)ethylcarbamothioyl]-3,4,5-trimethoxybenzamide
CID 2314305
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
N-(3-amino-3-hydroxyiminopropyl)-3,4,5-trimethoxybenzamide
CID 76952749
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 112978344
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide (CID 3593898) is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCC(=O)NCCN(C)C)cc(OC)c1OC.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide?
The InChIKey is PXAZDYAATLDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-20(2)9-8-18-15(21)6-7-19-17(22)12-10-13(23-3)16(25-5)14(11-12)24-4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide?
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-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-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3593898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).