N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide

C30H37N3O5 — CID 23796583

IUPACN-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide
SMILESCOc1ccc(CC(=O)Nc2cccc(CN(CC(C)(C)CN)C(=O)c3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C30H37N3O5/c1-30(2,19-31)20-33(29(35)23-11-14-26(37-4)27(17-23)38-5)18-22-7-6-8-24(15-22)32-28(34)16-21-9-12-25(36-3)13-10-21/h6-15,17H,16,18-20,31H2,1-5H3,(H,32,34)
InChIKeyMLFQPALHYDYQOS-UHFFFAOYSA-N
MW519.64 g/mol
LogP4.52
Rot. Bonds12

About N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide

N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide (PubChem CID 23796583) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide
PubChem CID23796583
Molecular FormulaC30H37N3O5
Molecular Weight519.64 g/mol
Exact Mass519.27
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide
SMILESCOc1ccc(CC(=O)Nc2cccc(CN(CC(C)(C)CN)C(=O)c3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C30H37N3O5/c1-30(2,19-31)20-33(29(35)23-11-14-26(37-4)27(17-23)38-5)18-22-7-6-8-24(15-22)32-28(34)16-21-9-12-25(36-3)13-10-21/h6-15,17H,16,18-20,31H2,1-5H3,(H,32,34)
InChIKeyMLFQPALHYDYQOS-UHFFFAOYSA-N
XLogP4.52
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23796119
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-[[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 43068641
N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23766917
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide
CID 23986790
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]-4-chlorophenyl]-3-methoxybenzamide
CID 23736687

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide (CID 23796583) is N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide is COc1ccc(CC(=O)Nc2cccc(CN(CC(C)(C)CN)C(=O)c3ccc(OC)c(OC)c3)c2)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide?
The InChIKey is MLFQPALHYDYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-30(2,19-31)20-33(29(35)23-11-14-26(37-4)27(17-23)38-5)18-22-7-6-8-24(15-22)32-28(34)16-21-9-12-25(36-3)13-10-21/h6-15,17H,16,18-20,31H2,1-5H3,(H,32,34).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide?
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide has a molecular weight of 519.64 g/mol, XLogP of 4.52, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide is sourced from PubChem (CID 23796583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).