N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide

C18H22N2O2 — CID 99822871

IUPACN-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
SMILESCC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1O
InChIInChI=1S/C18H22N2O2/c1-3-17(16-6-4-5-7-18(16)22)19-12-14-8-10-15(11-9-14)20-13(2)21/h4-11,17,19,22H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyNTIJARTXXFFRRH-KRWDZBQOSA-N
MW298.39 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide

N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide (PubChem CID 99822871) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
PubChem CID99822871
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
SMILESCC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1O
InChIInChI=1S/C18H22N2O2/c1-3-17(16-6-4-5-7-18(16)22)19-12-14-8-10-15(11-9-14)20-13(2)21/h4-11,17,19,22H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyNTIJARTXXFFRRH-KRWDZBQOSA-N
XLogP3.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
2-[1-(methylamino)propyl]phenol
CID 12862798
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
2-[1-(benzylamino)propyl]aniline
CID 12628946
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 61021836

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide (CID 99822871) is N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide is CC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1O.
What is the InChIKey of N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide?
The InChIKey is NTIJARTXXFFRRH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-17(16-6-4-5-7-18(16)22)19-12-14-8-10-15(11-9-14)20-13(2)21/h4-11,17,19,22H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide?
N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 99822871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).