N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide

C18H22N2O2 — CID 47091161

IUPACN-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NCc2ccccc2O)cc1
InChIInChI=1S/C18H22N2O2/c1-3-18(22)20-16-10-8-14(9-11-16)13(2)19-12-15-6-4-5-7-17(15)21/h4-11,13,19,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyWQGDDNHCKYUWRV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide

N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide (PubChem CID 47091161) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
PubChem CID47091161
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NCc2ccccc2O)cc1
InChIInChI=1S/C18H22N2O2/c1-3-18(22)20-16-10-8-14(9-11-16)13(2)19-12-15-6-4-5-7-17(15)21/h4-11,13,19,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyWQGDDNHCKYUWRV-UHFFFAOYSA-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

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673
N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 125464014
N-[4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]propanamide;hydrochloride
CID 47030478
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide (CID 47091161) is N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(C)NCc2ccccc2O)cc1.
What is the InChIKey of N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide?
The InChIKey is WQGDDNHCKYUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-18(22)20-16-10-8-14(9-11-16)13(2)19-12-15-6-4-5-7-17(15)21/h4-11,13,19,21H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide?
N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide 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-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide is sourced from PubChem (CID 47091161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).