2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide

C20H26N2O3 — CID 73021177

IUPAC2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
SMILESCCCCOc1cccc(-c2ccc(NC(=O)C(C)(N)CO)cc2)c1
InChIInChI=1S/C20H26N2O3/c1-3-4-12-25-18-7-5-6-16(13-18)15-8-10-17(11-9-15)22-19(24)20(2,21)14-23/h5-11,13,23H,3-4,12,14,21H2,1-2H3,(H,22,24)
InChIKeyUSQQOFUGQWONID-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.18
Rot. Bonds8

About 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide

2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide (PubChem CID 73021177) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
PubChem CID73021177
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
SMILESCCCCOc1cccc(-c2ccc(NC(=O)C(C)(N)CO)cc2)c1
InChIInChI=1S/C20H26N2O3/c1-3-4-12-25-18-7-5-6-16(13-18)15-8-10-17(11-9-15)22-19(24)20(2,21)14-23/h5-11,13,23H,3-4,12,14,21H2,1-2H3,(H,22,24)
InChIKeyUSQQOFUGQWONID-UHFFFAOYSA-N
XLogP3.18
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 11518212
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide
CID 69265813
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
CID 5133373
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
CID 11682809
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide (CID 73021177) is 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide is CCCCOc1cccc(-c2ccc(NC(=O)C(C)(N)CO)cc2)c1.
What is the InChIKey of 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide?
The InChIKey is USQQOFUGQWONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-4-12-25-18-7-5-6-16(13-18)15-8-10-17(11-9-15)22-19(24)20(2,21)14-23/h5-11,13,23H,3-4,12,14,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide?
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 73021177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).