N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide

C12H18N2O2 — CID 170399576

IUPACN-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CNC(C)O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(15)13-7-11-3-5-12(6-4-11)8-14-10(2)16/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeySNZKDZSTVBLXEH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.75
Rot. Bonds5

About N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide

N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide (PubChem CID 170399576) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
PubChem CID170399576
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CNC(C)O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(15)13-7-11-3-5-12(6-4-11)8-14-10(2)16/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeySNZKDZSTVBLXEH-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethylsulfonylphenyl)methylamino]ethanol
CID 175910689
N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide
CID 134401948
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
4-(acetamidomethyl)benzoyl chloride
CID 13131539
4-(acetamidomethyl)benzoate
CID 4573914
N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide
CID 82175838
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide (CID 170399576) is N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CNC(C)O)cc1.
What is the InChIKey of N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide?
The InChIKey is SNZKDZSTVBLXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)13-7-11-3-5-12(6-4-11)8-14-10(2)16/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide?
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 170399576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).