N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

C17H28N2O2 — CID 119570960

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCC(CC)(CN)NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2,12-18)19-16(20)11-21-15-9-7-14(8-10-15)13(3)4/h7-10,13H,5-6,11-12,18H2,1-4H3,(H,19,20)
InChIKeyATJRMTYXEMTMFO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 119570960) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID119570960
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCC(CC)(CN)NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2,12-18)19-16(20)11-21-15-9-7-14(8-10-15)13(3)4/h7-10,13H,5-6,11-12,18H2,1-4H3,(H,19,20)
InChIKeyATJRMTYXEMTMFO-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
CID 119571934
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(4-chlorophenoxy)acetamide
CID 107868236

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 119570960) is N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is CCC(CC)(CN)NC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is ATJRMTYXEMTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-17(6-2,12-18)19-16(20)11-21-15-9-7-14(8-10-15)13(3)4/h7-10,13H,5-6,11-12,18H2,1-4H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.82, 8 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-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 119570960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).