N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide

C15H26N4O3 — CID 59001680

IUPACN-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(CCN)CCN
InChIInChI=1S/C15H26N4O3/c1-21-12-4-3-5-13(22-2)14(12)15(20)18-8-11-19(9-6-16)10-7-17/h3-5H,6-11,16-17H2,1-2H3,(H,18,20)
InChIKeyXEJSYZNSLHLXGD-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.35
Rot. Bonds10

About N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide

N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide (PubChem CID 59001680) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
PubChem CID59001680
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(CCN)CCN
InChIInChI=1S/C15H26N4O3/c1-21-12-4-3-5-13(22-2)14(12)15(20)18-8-11-19(9-6-16)10-7-17/h3-5H,6-11,16-17H2,1-2H3,(H,18,20)
InChIKeyXEJSYZNSLHLXGD-UHFFFAOYSA-N
XLogP-0.35
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113051989
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113053535
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2,6-dimethoxybenzohydrazide
CID 2806104
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-[2-[bis(2-aminoethyl)amino]ethyl]anthracene-9-carboxamide
CID 102471528
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide (CID 59001680) is N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(CCN)CCN.
What is the InChIKey of N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is XEJSYZNSLHLXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-21-12-4-3-5-13(22-2)14(12)15(20)18-8-11-19(9-6-16)10-7-17/h3-5H,6-11,16-17H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide?
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 310.40 g/mol, XLogP of -0.35, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 59001680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).