N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide

C18H20N2O6 — CID 108539471

IUPACN-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C18H20N2O6/c1-25-15-7-12(8-16(10-15)26-2)18(24)20-4-3-19-17(23)11-5-13(21)9-14(22)6-11/h5-10,21-22H,3-4H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyLCMLMSQOIFLDQD-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.27
Rot. Bonds7

About N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide

N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide (PubChem CID 108539471) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
PubChem CID108539471
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C18H20N2O6/c1-25-15-7-12(8-16(10-15)26-2)18(24)20-4-3-19-17(23)11-5-13(21)9-14(22)6-11/h5-10,21-22H,3-4H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyLCMLMSQOIFLDQD-UHFFFAOYSA-N
XLogP1.27
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
3-hydroxy-5-methoxy-N-methylbenzamide
CID 59127123
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide (CID 108539471) is N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide is COc1cc(OC)cc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
The InChIKey is LCMLMSQOIFLDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-25-15-7-12(8-16(10-15)26-2)18(24)20-4-3-19-17(23)11-5-13(21)9-14(22)6-11/h5-10,21-22H,3-4H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide has a molecular weight of 360.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108539471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).