N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide

C18H21ClN2O2 — CID 119405733

IUPACN-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
SMILESNCCCNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O2/c19-16-6-1-5-15(10-16)13-23-17-7-2-4-14(11-17)12-18(22)21-9-3-8-20/h1-2,4-7,10-11H,3,8-9,12-13,20H2,(H,21,22)
InChIKeyIRONFLQLNCTEGL-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.93
Rot. Bonds8

About N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide

N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide (PubChem CID 119405733) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
PubChem CID119405733
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
SMILESNCCCNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O2/c19-16-6-1-5-15(10-16)13-23-17-7-2-4-14(11-17)12-18(22)21-9-3-8-20/h1-2,4-7,10-11H,3,8-9,12-13,20H2,(H,21,22)
InChIKeyIRONFLQLNCTEGL-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
CID 119505661
N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
CID 119405187
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
CID 11947976
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534430
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506352
N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768609

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide (CID 119405733) is N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide is NCCCNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide?
The InChIKey is IRONFLQLNCTEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-6-1-5-15(10-16)13-23-17-7-2-4-14(11-17)12-18(22)21-9-3-8-20/h1-2,4-7,10-11H,3,8-9,12-13,20H2,(H,21,22).
What are the key properties of N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide?
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide has a molecular weight of 332.83 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 119405733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).