1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one

C14H21NO3 — CID 82100724

IUPAC1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
SMILESCOCCCNC(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-11(15-9-4-10-17-2)14(16)12-5-7-13(18-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyHTWXLQTXAOQXSQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one

1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one (PubChem CID 82100724) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
PubChem CID82100724
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
SMILESCOCCCNC(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-11(15-9-4-10-17-2)14(16)12-5-7-13(18-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyHTWXLQTXAOQXSQ-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82101067
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 7024523
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100519
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one (CID 82100724) is 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one is COCCCNC(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one?
The InChIKey is HTWXLQTXAOQXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(15-9-4-10-17-2)14(16)12-5-7-13(18-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one?
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one is sourced from PubChem (CID 82100724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).