2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide

C16H26N2O3 — CID 43122490

IUPAC2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(CN)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-13(6-2)18-16(19)11(3)21-15-9-12(10-17)7-8-14(15)20-4/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyQUFMGDALDGULDP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.23
Rot. Bonds8

About 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide (PubChem CID 43122490) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
PubChem CID43122490
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(CN)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-13(6-2)18-16(19)11(3)21-15-9-12(10-17)7-8-14(15)20-4/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyQUFMGDALDGULDP-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43117670
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417
2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
CID 54984073
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylpropanamide
CID 63045151
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide (CID 43122490) is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1cc(CN)ccc1OC.
What is the InChIKey of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is QUFMGDALDGULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-13(6-2)18-16(19)11(3)21-15-9-12(10-17)7-8-14(15)20-4/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43122490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).