1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide

C15H22N4O3 — CID 23800038

IUPAC1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
SMILESCNC(=O)N1CCCN(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-16-14(20)18-8-3-9-19(11-10-18)15(21)17-12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyTVTMGFWEFMLHDF-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.57
Rot. Bonds2

About 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide

1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide (PubChem CID 23800038) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
PubChem CID23800038
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
SMILESCNC(=O)N1CCCN(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-16-14(20)18-8-3-9-19(11-10-18)15(21)17-12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyTVTMGFWEFMLHDF-UHFFFAOYSA-N
XLogP1.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide (CID 23800038) is 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide is CNC(=O)N1CCCN(C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide?
The InChIKey is TVTMGFWEFMLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-16-14(20)18-8-3-9-19(11-10-18)15(21)17-12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide?
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide is sourced from PubChem (CID 23800038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).