1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one

C16H22N2O2 — CID 82256661

IUPAC1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one
SMILESC=CCN(CC=C)C(C)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C16H22N2O2/c1-5-9-18(10-6-2)12(3)16(19)13-7-8-15(20-4)14(17)11-13/h5-8,11-12H,1-2,9-10,17H2,3-4H3
InChIKeyQUTBKPWSRRTCCM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.52
Rot. Bonds8

About 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one

1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one (PubChem CID 82256661) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one
PubChem CID82256661
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one
SMILESC=CCN(CC=C)C(C)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C16H22N2O2/c1-5-9-18(10-6-2)12(3)16(19)13-7-8-15(20-4)14(17)11-13/h5-8,11-12H,1-2,9-10,17H2,3-4H3
InChIKeyQUTBKPWSRRTCCM-UHFFFAOYSA-N
XLogP2.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one (CID 82256661) is 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one is C=CCN(CC=C)C(C)C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one?
The InChIKey is QUTBKPWSRRTCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-9-18(10-6-2)12(3)16(19)13-7-8-15(20-4)14(17)11-13/h5-8,11-12H,1-2,9-10,17H2,3-4H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one?
1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one is sourced from PubChem (CID 82256661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).