N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide

C24H32N2O6 — CID 5083548

IUPACN-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCCCCNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C24H32N2O6/c1-29-19-11-17(12-20(15-19)30-2)23(27)25-9-7-5-6-8-10-26-24(28)18-13-21(31-3)16-22(14-18)32-4/h11-16H,5-10H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyMJFUPZSARROHGY-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.44
Rot. Bonds13

About N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide

N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide (PubChem CID 5083548) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide
PubChem CID5083548
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC NameN-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCCCCNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C24H32N2O6/c1-29-19-11-17(12-20(15-19)30-2)23(27)25-9-7-5-6-8-10-26-24(28)18-13-21(31-3)16-22(14-18)32-4/h11-16H,5-10H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyMJFUPZSARROHGY-UHFFFAOYSA-N
XLogP3.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide (CID 5083548) is N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCCCCNC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide?
The InChIKey is MJFUPZSARROHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-29-19-11-17(12-20(15-19)30-2)23(27)25-9-7-5-6-8-10-26-24(28)18-13-21(31-3)16-22(14-18)32-4/h11-16H,5-10H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide?
N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide has a molecular weight of 444.53 g/mol, XLogP of 3.44, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,5-dimethoxybenzoyl)amino]hexyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 5083548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).