N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide

C26H27F2N3O4 — CID 23995243

IUPACN-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN(CCCN)C(=O)c3cc(F)cc(F)c3)c2)cc1OC
InChIInChI=1S/C26H27F2N3O4/c1-34-23-8-7-18(14-24(23)35-2)25(32)30-22-6-3-5-17(11-22)16-31(10-4-9-29)26(33)19-12-20(27)15-21(28)13-19/h3,5-8,11-15H,4,9-10,16,29H2,1-2H3,(H,30,32)
InChIKeyKFYFUQKOQZSVDQ-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.23
Rot. Bonds10

About N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide

N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 23995243) has the molecular formula C26H27F2N3O4 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID23995243
Molecular FormulaC26H27F2N3O4
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC NameN-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN(CCCN)C(=O)c3cc(F)cc(F)c3)c2)cc1OC
InChIInChI=1S/C26H27F2N3O4/c1-34-23-8-7-18(14-24(23)35-2)25(32)30-22-6-3-5-17(11-22)16-31(10-4-9-29)26(33)19-12-20(27)15-21(28)13-19/h3,5-8,11-15H,4,9-10,16,29H2,1-2H3,(H,30,32)
InChIKeyKFYFUQKOQZSVDQ-UHFFFAOYSA-N
XLogP4.23
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23766917
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide
CID 23913299
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23796119
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
N-[3-[[3-aminopropyl-(3,4-dimethoxybenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide
CID 23905734
N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide (CID 23995243) is N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(CN(CCCN)C(=O)c3cc(F)cc(F)c3)c2)cc1OC.
What is the InChIKey of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is KFYFUQKOQZSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O4/c1-34-23-8-7-18(14-24(23)35-2)25(32)30-22-6-3-5-17(11-22)16-31(10-4-9-29)26(33)19-12-20(27)15-21(28)13-19/h3,5-8,11-15H,4,9-10,16,29H2,1-2H3,(H,30,32).
What are the key properties of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 483.52 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23995243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).