2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

C16H25ClF3N3O2 — CID 120993063

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H24F3N3O2.ClH/c1-21(2)7-8-22(15(23)14(20)11-24-3)10-12-5-4-6-13(9-12)16(17,18)19;/h4-6,9,14H,7-8,10-11,20H2,1-3H3;1H
InChIKeyBSNQROCZSXTKCY-UHFFFAOYSA-N
MW383.84 g/mol
LogP1.99
Rot. Bonds8

About 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120993063) has the molecular formula C16H25ClF3N3O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID120993063
Molecular FormulaC16H25ClF3N3O2
Molecular Weight383.84 g/mol
Exact Mass383.16
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H24F3N3O2.ClH/c1-21(2)7-8-22(15(23)14(20)11-24-3)10-12-5-4-6-13(9-12)16(17,18)19;/h4-6,9,14H,7-8,10-11,20H2,1-3H3;1H
InChIKeyBSNQROCZSXTKCY-UHFFFAOYSA-N
XLogP1.99
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065197
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993055
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598768
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
CID 120993056
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 154975964
4-[[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]butanoic acid
CID 122021394
N-[2-(dimethylamino)ethyl]-7-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 126803408
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide
CID 75613825
2-chloro-3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63388001
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (CID 120993063) is 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is COCC(N)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is BSNQROCZSXTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2.ClH/c1-21(2)7-8-22(15(23)14(20)11-24-3)10-12-5-4-6-13(9-12)16(17,18)19;/h4-6,9,14H,7-8,10-11,20H2,1-3H3;1H.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 383.84 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120993063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).