N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide

C20H25ClN2O2 — CID 6102763

IUPACN-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide
SMILESCC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1
InChIInChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24)
InChIKeyDFXJYVQAAFOZDP-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.66
Rot. Bonds8

About N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide

N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide (PubChem CID 6102763) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide
PubChem CID6102763
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide
SMILESCC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1
InChIInChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24)
InChIKeyDFXJYVQAAFOZDP-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide (CID 6102763) is N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide is CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide?
The InChIKey is DFXJYVQAAFOZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24).
What are the key properties of N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide?
N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide has a molecular weight of 360.89 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 6102763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).