N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide

C36H58N4O6 — CID 73350985

IUPACN-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCNCCCCCCCCCCCCNCCCNC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C36H58N4O6/c1-43-29-17-19-33(45-3)31(27-29)35(41)39-25-15-23-37-21-13-11-9-7-5-6-8-10-12-14-22-38-24-16-26-40-36(42)32-28-30(44-2)18-20-34(32)46-4/h17-20,27-28,37-38H,5-16,21-26H2,1-4H3,(H,39,41)(H,40,42)
InChIKeyZRSLKYGEDBLSSG-UHFFFAOYSA-N
MW642.88 g/mol
LogP5.74
Rot. Bonds27

About N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide

N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide (PubChem CID 73350985) has the molecular formula C36H58N4O6 and a molecular weight of 642.88 g/mol. Its IUPAC name is N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide
PubChem CID73350985
Molecular FormulaC36H58N4O6
Molecular Weight642.88 g/mol
Exact Mass642.44
IUPAC NameN-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCNCCCCCCCCCCCCNCCCNC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C36H58N4O6/c1-43-29-17-19-33(45-3)31(27-29)35(41)39-25-15-23-37-21-13-11-9-7-5-6-8-10-12-14-22-38-24-16-26-40-36(42)32-28-30(44-2)18-20-34(32)46-4/h17-20,27-28,37-38H,5-16,21-26H2,1-4H3,(H,39,41)(H,40,42)
InChIKeyZRSLKYGEDBLSSG-UHFFFAOYSA-N
XLogP5.74
TPSA119.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.88
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Flecainide
CID 3356
R-(-)-Flecainide
CID 6603850
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
2-hydroxy-N-[2-(2-methoxyphenyl)acetyl]benzamide
CID 2815183
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414

Frequently Asked Questions

What is the IUPAC name of N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide (CID 73350985) is N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCCCNCCCCCCCCCCCCNCCCNC(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide?
The InChIKey is ZRSLKYGEDBLSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58N4O6/c1-43-29-17-19-33(45-3)31(27-29)35(41)39-25-15-23-37-21-13-11-9-7-5-6-8-10-12-14-22-38-24-16-26-40-36(42)32-28-30(44-2)18-20-34(32)46-4/h17-20,27-28,37-38H,5-16,21-26H2,1-4H3,(H,39,41)(H,40,42).
What are the key properties of N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide?
N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide has a molecular weight of 642.88 g/mol, XLogP of 5.74, 27 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 73350985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).