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

C21H26N2O6 — CID 4186597

IUPACN-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C21H26N2O6/c1-13(23-21(25)15-8-18(28-4)11-19(9-15)29-5)12-22-20(24)14-6-16(26-2)10-17(7-14)27-3/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyGKUSMRHGHMNHCO-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.27
Rot. Bonds9

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

N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide (PubChem CID 4186597) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide
PubChem CID4186597
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C21H26N2O6/c1-13(23-21(25)15-8-18(28-4)11-19(9-15)29-5)12-22-20(24)14-6-16(26-2)10-17(7-14)27-3/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyGKUSMRHGHMNHCO-UHFFFAOYSA-N
XLogP2.27
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Troxipide
CID 5597
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
Benzamide, N-(2-(1-pyrrolidinyl)ethyl)-3,4,5-trimethoxy-, monohydrochloride
CID 2947321
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
US10807959, Example B15
CID 138753248
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide
CID 15565706
Tricetamide
CID 67763

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide (CID 4186597) is N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(C)NC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide?
The InChIKey is GKUSMRHGHMNHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-13(23-21(25)15-8-18(28-4)11-19(9-15)29-5)12-22-20(24)14-6-16(26-2)10-17(7-14)27-3/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide?
N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide has a molecular weight of 402.45 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethoxybenzoyl)amino]propyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 4186597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).