N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride

About N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 68693720) has the molecular formula C31H49ClN2O5 and a molecular weight of 565.20 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name	N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
PubChem CID	68693720
Molecular Formula	C31H49ClN2O5
Molecular Weight	565.20 g/mol
Exact Mass	564.33
IUPAC Name	N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
SMILES	COCCCOc1cc(CC(CC(N)C(O)CNC(=O)C(C)(C)c2ccc(C)cc2)C(C)C)ccc1OC.Cl
InChI	InChI=1S/C31H48N2O5.ClH/c1-21(2)24(17-23-11-14-28(37-7)29(18-23)38-16-8-15-36-6)19-26(32)27(34)20-33-30(35)31(4,5)25-12-9-22(3)10-13-25;/h9-14,18,21,24,26-27,34H,8,15-17,19-20,32H2,1-7H3,(H,33,35);1H
InChIKey	IAFCTRMQRXBERB-UHFFFAOYSA-N
XLogP	4.83
TPSA	103.04 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	16
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.20
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?

The IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride (CID 68693720) is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride.

What is the SMILES notation for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?

The canonical SMILES for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride is COCCCOc1cc(CC(CC(N)C(O)CNC(=O)C(C)(C)c2ccc(C)cc2)C(C)C)ccc1OC.Cl.

What is the InChIKey of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?

The InChIKey is IAFCTRMQRXBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48N2O5.ClH/c1-21(2)24(17-23-11-14-28(37-7)29(18-23)38-16-8-15-36-6)19-26(32)27(34)20-33-30(35)31(4,5)25-12-9-22(3)10-13-25;/h9-14,18,21,24,26-27,34H,8,15-17,19-20,32H2,1-7H3,(H,33,35);1H.

What are the key properties of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 565.20 g/mol, XLogP of 4.83, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 68693720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).