N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide

C14H22N2O3 — CID 43601624

IUPACN-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
SMILESCCNCCCNC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-4-15-9-6-10-16-14(17)11-7-5-8-12(18-2)13(11)19-3/h5,7-8,15H,4,6,9-10H2,1-3H3,(H,16,17)
InChIKeyMMRFQXCYROIJNB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.43
Rot. Bonds8

About N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide

N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide (PubChem CID 43601624) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
PubChem CID43601624
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
SMILESCCNCCCNC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-4-15-9-6-10-16-14(17)11-7-5-8-12(18-2)13(11)19-3/h5,7-8,15H,4,6,9-10H2,1-3H3,(H,16,17)
InChIKeyMMRFQXCYROIJNB-UHFFFAOYSA-N
XLogP1.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide
CID 77036754
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide (CID 43601624) is N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide is CCNCCCNC(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide?
The InChIKey is MMRFQXCYROIJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-15-9-6-10-16-14(17)11-7-5-8-12(18-2)13(11)19-3/h5,7-8,15H,4,6,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide?
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 43601624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).