N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide

C22H28N2O6 — CID 2933573

IUPACN-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCCNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C22H28N2O6/c1-27-17-9-15(10-18(13-17)28-2)21(25)23-7-5-6-8-24-22(26)16-11-19(29-3)14-20(12-16)30-4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySMHATGULEJKTCR-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.66
Rot. Bonds11

About N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide (PubChem CID 2933573) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
PubChem CID2933573
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCCNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C22H28N2O6/c1-27-17-9-15(10-18(13-17)28-2)21(25)23-7-5-6-8-24-22(26)16-11-19(29-3)14-20(12-16)30-4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySMHATGULEJKTCR-UHFFFAOYSA-N
XLogP2.66
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.66
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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Related Compounds

N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
CID 110444718
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
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
3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513841
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide (CID 2933573) is N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCCNC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide?
The InChIKey is SMHATGULEJKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-27-17-9-15(10-18(13-17)28-2)21(25)23-7-5-6-8-24-22(26)16-11-19(29-3)14-20(12-16)30-4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide?
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide has a molecular weight of 416.47 g/mol, XLogP of 2.66, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2933573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).