N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide

C14H20N2O3 — CID 18069772

IUPACN-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESNCc1ccccc1NC(=O)COCC1CCCO1
InChIInChI=1S/C14H20N2O3/c15-8-11-4-1-2-6-13(11)16-14(17)10-18-9-12-5-3-7-19-12/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17)
InChIKeyXKFLNGXYYGAGHC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 18069772) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID18069772
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESNCc1ccccc1NC(=O)COCC1CCCO1
InChIInChI=1S/C14H20N2O3/c15-8-11-4-1-2-6-13(11)16-14(17)10-18-9-12-5-3-7-19-12/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17)
InChIKeyXKFLNGXYYGAGHC-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106497396
N-[2-(aminomethyl)phenyl]-2-cyclopentyloxyacetamide
CID 16795947
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide
CID 43531428
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
CID 164642629
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 18069772) is N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide is NCc1ccccc1NC(=O)COCC1CCCO1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is XKFLNGXYYGAGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-8-11-4-1-2-6-13(11)16-14(17)10-18-9-12-5-3-7-19-12/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 18069772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).