2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide

C14H22N2O3 — CID 107230510

IUPAC2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1cccc(CO)c1
InChIInChI=1S/C14H22N2O3/c1-19-7-3-6-16-14(18)10-15-9-12-4-2-5-13(8-12)11-17/h2,4-5,8,15,17H,3,6-7,9-11H2,1H3,(H,16,18)
InChIKeyPEXVLJJODYBKRF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.42
Rot. Bonds9

About 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide

2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 107230510) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID107230510
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1cccc(CO)c1
InChIInChI=1S/C14H22N2O3/c1-19-7-3-6-16-14(18)10-15-9-12-4-2-5-13(8-12)11-17/h2,4-5,8,15,17H,3,6-7,9-11H2,1H3,(H,16,18)
InChIKeyPEXVLJJODYBKRF-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.42
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

2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
CID 60647411
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
CID 107230478
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60647529
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
2-[(2,5-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 55234926
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119842558
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide (CID 107230510) is 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCc1cccc(CO)c1.
What is the InChIKey of 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is PEXVLJJODYBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-7-3-6-16-14(18)10-15-9-12-4-2-5-13(8-12)11-17/h2,4-5,8,15,17H,3,6-7,9-11H2,1H3,(H,16,18).
What are the key properties of 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 107230510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).