N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide

C14H21ClN2O3 — CID 79281917

IUPACN-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCCCOc1ccc(NC(=O)CNCCOC)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-3-7-20-13-5-4-11(9-12(13)15)17-14(18)10-16-6-8-19-2/h4-5,9,16H,3,6-8,10H2,1-2H3,(H,17,18)
InChIKeyIJLMULXUKFVROL-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.30
Rot. Bonds9

About N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide

N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 79281917) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID79281917
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCCCOc1ccc(NC(=O)CNCCOC)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-3-7-20-13-5-4-11(9-12(13)15)17-14(18)10-16-6-8-19-2/h4-5,9,16H,3,6-8,10H2,1-2H3,(H,17,18)
InChIKeyIJLMULXUKFVROL-UHFFFAOYSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.30
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-propoxyphenyl)-2-(2-methoxyethylamino)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-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286490
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide (CID 79281917) is N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide is CCCOc1ccc(NC(=O)CNCCOC)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is IJLMULXUKFVROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-7-20-13-5-4-11(9-12(13)15)17-14(18)10-16-6-8-19-2/h4-5,9,16H,3,6-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide?
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 300.79 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79281917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).