3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide

C15H24N2O2 — CID 81087802

IUPAC3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
SMILESCCC(CN)CC(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-12(10-16)9-15(18)17-11(2)13-7-5-6-8-14(13)19-3/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyBKQQPWKZPLLBAW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds7

About 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide

3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide (PubChem CID 81087802) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
PubChem CID81087802
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
SMILESCCC(CN)CC(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-12(10-16)9-15(18)17-11(2)13-7-5-6-8-14(13)19-3/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyBKQQPWKZPLLBAW-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
3-(ethylamino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387789
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 81387632
3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
CID 81075854
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide (CID 81087802) is 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide is CCC(CN)CC(=O)NC(C)c1ccccc1OC.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide?
The InChIKey is BKQQPWKZPLLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12(10-16)9-15(18)17-11(2)13-7-5-6-8-14(13)19-3/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide?
3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 81087802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).