2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide

C21H20N2O3 — CID 135387436

IUPAC2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide
SMILESNC(CO)C(=O)Nc1cccc(Oc2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3/c22-20(14-24)21(25)23-17-9-5-11-19(13-17)26-18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-13,20,24H,14,22H2,(H,23,25)
InChIKeyHHFRFBLJQZZBAG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.40
Rot. Bonds6

About 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide

2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide (PubChem CID 135387436) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide
PubChem CID135387436
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide
SMILESNC(CO)C(=O)Nc1cccc(Oc2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3/c22-20(14-24)21(25)23-17-9-5-11-19(13-17)26-18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-13,20,24H,14,22H2,(H,23,25)
InChIKeyHHFRFBLJQZZBAG-UHFFFAOYSA-N
XLogP3.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-hydroxy-N-[3-[4-(2-phenylethyl)phenoxy]phenyl]propanamide
CID 142479950
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
3-amino-4-[3-(cyanomethoxy)anilino]-4-oxobutanoic acid
CID 64897249
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide (CID 135387436) is 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide is NC(CO)C(=O)Nc1cccc(Oc2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide?
The InChIKey is HHFRFBLJQZZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c22-20(14-24)21(25)23-17-9-5-11-19(13-17)26-18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-13,20,24H,14,22H2,(H,23,25).
What are the key properties of 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide?
2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide has a molecular weight of 348.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide is sourced from PubChem (CID 135387436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).