1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one

C19H24N2O4 — CID 141230436

IUPAC1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
SMILESCOc1ccc(CC(C)NCC(O)C(=O)c2ccc(O)c(N)c2)cc1
InChIInChI=1S/C19H24N2O4/c1-12(9-13-3-6-15(25-2)7-4-13)21-11-18(23)19(24)14-5-8-17(22)16(20)10-14/h3-8,10,12,18,21-23H,9,11,20H2,1-2H3
InChIKeyLQJNDFCPGREXPX-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.75
Rot. Bonds8

About 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one

1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one (PubChem CID 141230436) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
PubChem CID141230436
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
SMILESCOc1ccc(CC(C)NCC(O)C(=O)c2ccc(O)c(N)c2)cc1
InChIInChI=1S/C19H24N2O4/c1-12(9-13-3-6-15(25-2)7-4-13)21-11-18(23)19(24)14-5-8-17(22)16(20)10-14/h3-8,10,12,18,21-23H,9,11,20H2,1-2H3
InChIKeyLQJNDFCPGREXPX-UHFFFAOYSA-N
XLogP1.75
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenol;N-[2-hydroxy-5-[1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
CID 159413933
acetic acid;1-(4-hydroxy-3-methylsulfanylphenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
CID 13372462
1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
CID 123192488
5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide
CID 20550956
(2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
CID 123134656
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
CID 106170771
(E)-but-2-enedioic acid;bis(N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide)
CID 66509068
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one?
The IUPAC name of 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one (CID 141230436) is 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one.
What is the SMILES notation for 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one?
The canonical SMILES for 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one is COc1ccc(CC(C)NCC(O)C(=O)c2ccc(O)c(N)c2)cc1.
What is the InChIKey of 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one?
The InChIKey is LQJNDFCPGREXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(9-13-3-6-15(25-2)7-4-13)21-11-18(23)19(24)14-5-8-17(22)16(20)10-14/h3-8,10,12,18,21-23H,9,11,20H2,1-2H3.
What are the key properties of 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one?
1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one has a molecular weight of 344.41 g/mol, XLogP of 1.75, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one is sourced from PubChem (CID 141230436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).