N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide

C21H33N3O3 — CID 87021923

IUPACN-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
SMILESCCOc1ccccc1C(CC)NC(=O)CN1CCCN(C(=O)CC)CC1
InChIInChI=1S/C21H33N3O3/c1-4-18(17-10-7-8-11-19(17)27-6-3)22-20(25)16-23-12-9-13-24(15-14-23)21(26)5-2/h7-8,10-11,18H,4-6,9,12-16H2,1-3H3,(H,22,25)
InChIKeyBYDKGFOGBRBZCD-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.60
Rot. Bonds8

About N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide

N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide (PubChem CID 87021923) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
PubChem CID87021923
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
SMILESCCOc1ccccc1C(CC)NC(=O)CN1CCCN(C(=O)CC)CC1
InChIInChI=1S/C21H33N3O3/c1-4-18(17-10-7-8-11-19(17)27-6-3)22-20(25)16-23-12-9-13-24(15-14-23)21(26)5-2/h7-8,10-11,18H,4-6,9,12-16H2,1-3H3,(H,22,25)
InChIKeyBYDKGFOGBRBZCD-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-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

2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901660
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 87021791
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712
3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55901152
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide (CID 87021923) is N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide is CCOc1ccccc1C(CC)NC(=O)CN1CCCN(C(=O)CC)CC1.
What is the InChIKey of N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is BYDKGFOGBRBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-18(17-10-7-8-11-19(17)27-6-3)22-20(25)16-23-12-9-13-24(15-14-23)21(26)5-2/h7-8,10-11,18H,4-6,9,12-16H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 87021923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).