N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide

C22H29N3O3 — CID 86987229

IUPACN-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H29N3O3/c1-3-28-21-8-5-4-7-20(21)23-22(26)25-14-6-13-24(15-16-25)17-18-9-11-19(27-2)12-10-18/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,23,26)
InChIKeyQOMDCPGOGDXLCY-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.83
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide

N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 86987229) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID86987229
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H29N3O3/c1-3-28-21-8-5-4-7-20(21)23-22(26)25-14-6-13-24(15-16-25)17-18-9-11-19(27-2)12-10-18/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,23,26)
InChIKeyQOMDCPGOGDXLCY-UHFFFAOYSA-N
XLogP3.83
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide 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

4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108148
N-(2,3-dichlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184568
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
CID 19289440
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
2-(4-ethoxyphenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55518199
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-ethoxyphenyl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464389

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide (CID 86987229) is N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is QOMDCPGOGDXLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-28-21-8-5-4-7-20(21)23-22(26)25-14-6-13-24(15-16-25)17-18-9-11-19(27-2)12-10-18/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 86987229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).