N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide

C20H26ClN3O2 — CID 11810896

IUPACN-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1
InChIKeyPHCQHHUHBQVLPB-VLIAUNLRSA-N
MW375.90 g/mol
LogP3.10
Rot. Bonds9

About N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide

N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide (PubChem CID 11810896) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide
PubChem CID11810896
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1
InChIKeyPHCQHHUHBQVLPB-VLIAUNLRSA-N
XLogP3.10
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide (CID 11810896) is N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide is CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide?
The InChIKey is PHCQHHUHBQVLPB-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1.
What are the key properties of N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide?
N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide has a molecular weight of 375.90 g/mol, XLogP of 3.10, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 11810896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).