3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride

C16H27ClN2O3 — CID 18368300

IUPAC3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride
SMILESCOCCC(=O)Nc1ccc(OCCNC(C)C)c(C)c1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-12(2)17-8-10-21-15-6-5-14(11-13(15)3)18-16(19)7-9-20-4;/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19);1H
InChIKeyIKJANDAJGVQZHN-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.77
Rot. Bonds9

About 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride

3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride (PubChem CID 18368300) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride
PubChem CID18368300
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride
SMILESCOCCC(=O)Nc1ccc(OCCNC(C)C)c(C)c1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-12(2)17-8-10-21-15-6-5-14(11-13(15)3)18-16(19)7-9-20-4;/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19);1H
InChIKeyIKJANDAJGVQZHN-UHFFFAOYSA-N
XLogP2.77
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride?
The IUPAC name of 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride (CID 18368300) is 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride is COCCC(=O)Nc1ccc(OCCNC(C)C)c(C)c1.Cl.
What is the InChIKey of 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride?
The InChIKey is IKJANDAJGVQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-12(2)17-8-10-21-15-6-5-14(11-13(15)3)18-16(19)7-9-20-4;/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19);1H.
What are the key properties of 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride?
3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 18368300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).