N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide

C20H25ClN2O3 — CID 3545299

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide
SMILESCCOCCCNC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-3-26-13-7-12-22-19(15-8-5-4-6-9-15)20(24)23-16-10-11-18(25-2)17(21)14-16/h4-6,8-11,14,19,22H,3,7,12-13H2,1-2H3,(H,23,24)
InChIKeyZBTIVTPZMLROGN-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.04
Rot. Bonds10

About N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide

N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide (PubChem CID 3545299) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide
PubChem CID3545299
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide
SMILESCCOCCCNC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-3-26-13-7-12-22-19(15-8-5-4-6-9-15)20(24)23-16-10-11-18(25-2)17(21)14-16/h4-6,8-11,14,19,22H,3,7,12-13H2,1-2H3,(H,23,24)
InChIKeyZBTIVTPZMLROGN-UHFFFAOYSA-N
XLogP4.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide (CID 3545299) is N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide is CCOCCCNC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide?
The InChIKey is ZBTIVTPZMLROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-3-26-13-7-12-22-19(15-8-5-4-6-9-15)20(24)23-16-10-11-18(25-2)17(21)14-16/h4-6,8-11,14,19,22H,3,7,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide has a molecular weight of 376.88 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide is sourced from PubChem (CID 3545299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).