4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride

C19H23Cl3N2O2 — CID 120593768

IUPAC4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H22Cl2N2O2.ClH/c1-23(18(24)11-17(12-22)25-2)19(13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14;/h3-10,17,19H,11-12,22H2,1-2H3;1H
InChIKeyWMLXEEPPNAYOIH-UHFFFAOYSA-N
MW417.76 g/mol
LogP4.33
Rot. Bonds7

About 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride

4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120593768) has the molecular formula C19H23Cl3N2O2 and a molecular weight of 417.76 g/mol. Its IUPAC name is 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120593768
Molecular FormulaC19H23Cl3N2O2
Molecular Weight417.76 g/mol
Exact Mass416.08
IUPAC Name4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H22Cl2N2O2.ClH/c1-23(18(24)11-17(12-22)25-2)19(13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14;/h3-10,17,19H,11-12,22H2,1-2H3;1H
InChIKeyWMLXEEPPNAYOIH-UHFFFAOYSA-N
XLogP4.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
CID 120588649
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
CID 120593275
4-amino-N-(dicyclopropylmethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590886
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine
CID 105486100
4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590068
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride (CID 120593768) is 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride is COC(CN)CC(=O)N(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is WMLXEEPPNAYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2.ClH/c1-23(18(24)11-17(12-22)25-2)19(13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14;/h3-10,17,19H,11-12,22H2,1-2H3;1H.
What are the key properties of 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 417.76 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120593768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).