2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide

C14H18N2O3 — CID 60878492

IUPAC2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(CN)cc1OC
InChIInChI=1S/C14H18N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h1,5-6,8,10H,7,9,15H2,2-3H3,(H,16,17)
InChIKeyIELBQBNMXSONBV-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.67
Rot. Bonds6

About 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide

2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide (PubChem CID 60878492) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
PubChem CID60878492
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(CN)cc1OC
InChIInChI=1S/C14H18N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h1,5-6,8,10H,7,9,15H2,2-3H3,(H,16,17)
InChIKeyIELBQBNMXSONBV-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60882115
4-methoxy-3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 79726276
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43278651
2-[4-(hydroxymethyl)-2-(trifluoromethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 63320537
2-[4-(2-aminobutyl)-2-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 107693370
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide (CID 60878492) is 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(CN)cc1OC.
What is the InChIKey of 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is IELBQBNMXSONBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h1,5-6,8,10H,7,9,15H2,2-3H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide?
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60878492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).