1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone

C17H28N2O2 — CID 82164344

IUPAC1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone
SMILESCCCOc1ccc(C(=O)CN(CCC)CCC)cc1N
InChIInChI=1S/C17H28N2O2/c1-4-9-19(10-5-2)13-16(20)14-7-8-17(15(18)12-14)21-11-6-3/h7-8,12H,4-6,9-11,13,18H2,1-3H3
InChIKeyLWRMRINPYRQAKK-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.36
Rot. Bonds10

About 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone

1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone (PubChem CID 82164344) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone
PubChem CID82164344
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone
SMILESCCCOc1ccc(C(=O)CN(CCC)CCC)cc1N
InChIInChI=1S/C17H28N2O2/c1-4-9-19(10-5-2)13-16(20)14-7-8-17(15(18)12-14)21-11-6-3/h7-8,12H,4-6,9-11,13,18H2,1-3H3
InChIKeyLWRMRINPYRQAKK-UHFFFAOYSA-N
XLogP3.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-propoxyphenyl)-3-(dipropylamino)propan-1-one
CID 93213391
1-(3-amino-4-propoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-one
CID 82064948
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
methyl 3-amino-4-propoxybenzoate
CID 43380309
3-[(3-amino-4-propoxybenzoyl)-methylamino]propanoic acid
CID 110496635
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
1-(3-amino-4-butoxyphenyl)-3-methylbutan-1-one
CID 82152529
2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
3-amino-4-butoxybenzamide
CID 43448596
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone?
The IUPAC name of 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone (CID 82164344) is 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone is CCCOc1ccc(C(=O)CN(CCC)CCC)cc1N.
What is the InChIKey of 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone?
The InChIKey is LWRMRINPYRQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-19(10-5-2)13-16(20)14-7-8-17(15(18)12-14)21-11-6-3/h7-8,12H,4-6,9-11,13,18H2,1-3H3.
What are the key properties of 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone?
1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone has a molecular weight of 292.42 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone is sourced from PubChem (CID 82164344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).