N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide

C18H30N2O2 — CID 119571043

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NC(CC)(CC)CN
InChIInChI=1S/C18H30N2O2/c1-5-14(4)15-10-8-9-11-16(15)22-12-17(21)20-18(6-2,7-3)13-19/h8-11,14H,5-7,12-13,19H2,1-4H3,(H,20,21)
InChIKeyXLWIBOSHVQRKMF-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.21
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide (PubChem CID 119571043) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
PubChem CID119571043
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NC(CC)(CC)CN
InChIInChI=1S/C18H30N2O2/c1-5-14(4)15-10-8-9-11-16(15)22-12-17(21)20-18(6-2,7-3)13-19/h8-11,14H,5-7,12-13,19H2,1-4H3,(H,20,21)
InChIKeyXLWIBOSHVQRKMF-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511
N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119603865
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide (CID 119571043) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide is CCC(C)c1ccccc1OCC(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide?
The InChIKey is XLWIBOSHVQRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-14(4)15-10-8-9-11-16(15)22-12-17(21)20-18(6-2,7-3)13-19/h8-11,14H,5-7,12-13,19H2,1-4H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide is sourced from PubChem (CID 119571043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).