2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

C17H26N2O2 — CID 81172117

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)CC2(CN)CCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-4-6-15(7-5-14)21-11-10-19(2)16(20)12-17(13-18)8-3-9-17/h4-7H,3,8-13,18H2,1-2H3
InChIKeyIRNXIIGOIZRQGC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 81172117) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID81172117
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)CC2(CN)CCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-4-6-15(7-5-14)21-11-10-19(2)16(20)12-17(13-18)8-3-9-17/h4-7H,3,8-13,18H2,1-2H3
InChIKeyIRNXIIGOIZRQGC-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
2-[(1R)-cyclopent-2-en-1-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51925470
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 81172117) is 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCN(C)C(=O)CC2(CN)CCC2)cc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is IRNXIIGOIZRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-4-6-15(7-5-14)21-11-10-19(2)16(20)12-17(13-18)8-3-9-17/h4-7H,3,8-13,18H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 81172117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).