N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide

C18H22N2O4 — CID 54852716

IUPACN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CO)C(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O4/c1-24-15-8-2-12(3-9-15)10-17(22)20-16(11-21)18(23)13-4-6-14(19)7-5-13/h2-9,16,18,21,23H,10-11,19H2,1H3,(H,20,22)
InChIKeySCIXWWJXEKULGI-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.03
Rot. Bonds7

About N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide

N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 54852716) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID54852716
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CO)C(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O4/c1-24-15-8-2-12(3-9-15)10-17(22)20-16(11-21)18(23)13-4-6-14(19)7-5-13/h2-9,16,18,21,23H,10-11,19H2,1H3,(H,20,22)
InChIKeySCIXWWJXEKULGI-UHFFFAOYSA-N
XLogP1.03
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 84579662
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
CID 119799811
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide
CID 54852924
N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
CID 66177096

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide (CID 54852716) is N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(CO)C(O)c2ccc(N)cc2)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is SCIXWWJXEKULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-15-8-2-12(3-9-15)10-17(22)20-16(11-21)18(23)13-4-6-14(19)7-5-13/h2-9,16,18,21,23H,10-11,19H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 54852716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).