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

C23H32N2O3 — CID 120592654

IUPAC4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1
InChIInChI=1S/C23H32N2O3/c1-16-7-6-8-19(9-16)15-28-23-17(2)10-20(11-18(23)3)14-25(4)22(26)12-21(13-24)27-5/h6-11,21H,12-15,24H2,1-5H3
InChIKeyOREIKHURXWKSNP-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.51
Rot. Bonds9

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

4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide (PubChem CID 120592654) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide
PubChem CID120592654
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1
InChIInChI=1S/C23H32N2O3/c1-16-7-6-8-19(9-16)15-28-23-17(2)10-20(11-18(23)3)14-25(4)22(26)12-21(13-24)27-5/h6-11,21H,12-15,24H2,1-5H3
InChIKeyOREIKHURXWKSNP-UHFFFAOYSA-N
XLogP3.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120592661
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733
2-amino-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181119
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 113095853
3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 103158759
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide (CID 120592654) is 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide is COC(CN)CC(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1.
What is the InChIKey of 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide?
The InChIKey is OREIKHURXWKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-16-7-6-8-19(9-16)15-28-23-17(2)10-20(11-18(23)3)14-25(4)22(26)12-21(13-24)27-5/h6-11,21H,12-15,24H2,1-5H3.
What are the key properties of 4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide?
4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide has a molecular weight of 384.52 g/mol, XLogP of 3.51, 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-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 120592654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).