N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide

C17H27N3O5 — CID 108570778

IUPACN-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H27N3O5/c1-6-20(7-2)17(22)19-9-8-18-16(21)12-10-13(23-3)15(25-5)14(11-12)24-4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyAKBRUJVHFDTFNL-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.49
Rot. Bonds9

About N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 108570778) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID108570778
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC NameN-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H27N3O5/c1-6-20(7-2)17(22)19-9-8-18-16(21)12-10-13(23-3)15(25-5)14(11-12)24-4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyAKBRUJVHFDTFNL-UHFFFAOYSA-N
XLogP1.49
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570771
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide (CID 108570778) is N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide is CCN(CC)C(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is AKBRUJVHFDTFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-6-20(7-2)17(22)19-9-8-18-16(21)12-10-13(23-3)15(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-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 108570778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).