N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide

C15H22N2O2 — CID 103555377

IUPACN-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC(C)c2cccc(N)c2)CCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-3-6-13(16)9-12)17-14(18)10-15(19-2)7-4-8-15/h3,5-6,9,11H,4,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyAJDJBGRDSIKUJF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide

N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103555377) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103555377
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC(C)c2cccc(N)c2)CCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-3-6-13(16)9-12)17-14(18)10-15(19-2)7-4-8-15/h3,5-6,9,11H,4,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyAJDJBGRDSIKUJF-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555376
N-(2-amino-1-phenylethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558356
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119047772
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106826035
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
N-[1-(3-aminophenyl)ethyl]-3,4,4-trimethylpentanamide
CID 63832849
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
2-(1-aminocyclohexyl)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 64684603
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide (CID 103555377) is N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC(C)c2cccc(N)c2)CCC1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is AJDJBGRDSIKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-5-3-6-13(16)9-12)17-14(18)10-15(19-2)7-4-8-15/h3,5-6,9,11H,4,7-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide?
N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103555377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).