N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide

C12H18N2O3 — CID 43531428

IUPACN-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide
SMILESNCc1ccccc1NC(=O)COCCCO
InChIInChI=1S/C12H18N2O3/c13-8-10-4-1-2-5-11(10)14-12(16)9-17-7-3-6-15/h1-2,4-5,15H,3,6-9,13H2,(H,14,16)
InChIKeyJETKTOCTQNUDQQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.48
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide

N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide (PubChem CID 43531428) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide
PubChem CID43531428
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide
SMILESNCc1ccccc1NC(=O)COCCCO
InChIInChI=1S/C12H18N2O3/c13-8-10-4-1-2-5-11(10)14-12(16)9-17-7-3-6-15/h1-2,4-5,15H,3,6-9,13H2,(H,14,16)
InChIKeyJETKTOCTQNUDQQ-UHFFFAOYSA-N
XLogP0.48
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.48
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

N-[2-(aminomethyl)phenyl]-2-cyclopentyloxyacetamide
CID 16795947
2-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841
2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide
CID 62344023
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359
2-(2-aminoethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 79463675
N-[2-(aminomethyl)phenyl]-3-(3-methoxypropylsulfinyl)propanamide
CID 81332822
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide (CID 43531428) is N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide is NCc1ccccc1NC(=O)COCCCO.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide?
The InChIKey is JETKTOCTQNUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-8-10-4-1-2-5-11(10)14-12(16)9-17-7-3-6-15/h1-2,4-5,15H,3,6-9,13H2,(H,14,16).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide?
N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide is sourced from PubChem (CID 43531428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).