N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide

C16H23N3O2 — CID 79844247

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CC2(N)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-15(21)10-16(17)7-4-8-16)13-5-3-6-14(9-13)19-12(2)20/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGSTMLTSPXKPGQI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide

N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide (PubChem CID 79844247) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
PubChem CID79844247
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CC2(N)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-15(21)10-16(17)7-4-8-16)13-5-3-6-14(9-13)19-12(2)20/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGSTMLTSPXKPGQI-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
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
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide (CID 79844247) is N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide is CC(=O)Nc1cccc(C(C)NC(=O)CC2(N)CCC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide?
The InChIKey is GSTMLTSPXKPGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(18-15(21)10-16(17)7-4-8-16)13-5-3-6-14(9-13)19-12(2)20/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide?
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide is sourced from PubChem (CID 79844247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).