N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride

C14H21Cl3N2O2 — CID 22769475

IUPACN-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NCCNCC(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-9(2)14(20)18-6-5-17-8-13(19)10-3-4-11(15)12(16)7-10;/h3-4,7,9,13,17,19H,5-6,8H2,1-2H3,(H,18,20);1H
InChIKeyVDIWCLPTUZHZLD-UHFFFAOYSA-N
MW355.69 g/mol
LogP2.81
Rot. Bonds7

About N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride

N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride (PubChem CID 22769475) has the molecular formula C14H21Cl3N2O2 and a molecular weight of 355.69 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride
PubChem CID22769475
Molecular FormulaC14H21Cl3N2O2
Molecular Weight355.69 g/mol
Exact Mass354.07
IUPAC NameN-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NCCNCC(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-9(2)14(20)18-6-5-17-8-13(19)10-3-4-11(15)12(16)7-10;/h3-4,7,9,13,17,19H,5-6,8H2,1-2H3,(H,18,20);1H
InChIKeyVDIWCLPTUZHZLD-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride (CID 22769475) is N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)NCCNCC(O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
The InChIKey is VDIWCLPTUZHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2.ClH/c1-9(2)14(20)18-6-5-17-8-13(19)10-3-4-11(15)12(16)7-10;/h3-4,7,9,13,17,19H,5-6,8H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 22769475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).