4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride

C23H33ClN2O3 — CID 120592661

IUPAC4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1.Cl
InChIInChI=1S/C23H32N2O3.ClH/c1-16-8-6-7-9-20(16)15-28-23-17(2)10-19(11-18(23)3)14-25(4)22(26)12-21(13-24)27-5;/h6-11,21H,12-15,24H2,1-5H3;1H
InChIKeyLFXPTJABQNGWKH-UHFFFAOYSA-N
MW420.98 g/mol
LogP3.93
Rot. Bonds9

About 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride

4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120592661) has the molecular formula C23H33ClN2O3 and a molecular weight of 420.98 g/mol. Its IUPAC name is 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120592661
Molecular FormulaC23H33ClN2O3
Molecular Weight420.98 g/mol
Exact Mass420.22
IUPAC Name4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1.Cl
InChIInChI=1S/C23H32N2O3.ClH/c1-16-8-6-7-9-20(16)15-28-23-17(2)10-19(11-18(23)3)14-25(4)22(26)12-21(13-24)27-5;/h6-11,21H,12-15,24H2,1-5H3;1H
InChIKeyLFXPTJABQNGWKH-UHFFFAOYSA-N
XLogP3.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride with MolForge

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Related Compounds

4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide
CID 120592654
(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride
CID 119328415
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
2-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl-ethylamino]acetic acid
CID 119135581
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
4-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120586924
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride (CID 120592661) is 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride is COC(CN)CC(=O)N(C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1.Cl.
What is the InChIKey of 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is LFXPTJABQNGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.ClH/c1-16-8-6-7-9-20(16)15-28-23-17(2)10-19(11-18(23)3)14-25(4)22(26)12-21(13-24)27-5;/h6-11,21H,12-15,24H2,1-5H3;1H.
What are the key properties of 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 420.98 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120592661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).