2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C16H31N3O2 — CID 123877002

IUPAC2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCCOC1CCCCC1C(C(N)=O)N1CCCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-21-14-8-5-4-7-13(14)15(16(17)20)19-10-6-9-18(2)11-12-19/h13-15H,3-12H2,1-2H3,(H2,17,20)
InChIKeyGJYHQSGPUITVFG-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.07
Rot. Bonds5

About 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide

2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 123877002) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID123877002
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCCOC1CCCCC1C(C(N)=O)N1CCCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-21-14-8-5-4-7-13(14)15(16(17)20)19-10-6-9-18(2)11-12-19/h13-15H,3-12H2,1-2H3,(H2,17,20)
InChIKeyGJYHQSGPUITVFG-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide 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-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 67073989
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
(3S,4S)-3-ethoxy-1-methylazepan-4-ol
CID 170715059
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
ethyl 3-methyl-2-(4-methylpiperazin-1-yl)butanoate
CID 20833930
lithium 2-(4-methyl-1,4-diazepan-1-yl)butanoate
CID 135240366
2-ethoxycyclooctan-1-ol
CID 18953000
1-methylazecane-6-carboxamide
CID 121218409
2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
CID 65419887
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
ethyl 2-(4-methylpiperazin-1-yl)-3-oxobutanoate
CID 45104528

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 123877002) is 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CCOC1CCCCC1C(C(N)=O)N1CCCN(C)CC1.
What is the InChIKey of 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is GJYHQSGPUITVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-21-14-8-5-4-7-13(14)15(16(17)20)19-10-6-9-18(2)11-12-19/h13-15H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 123877002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).