N-(3-aminocyclobutyl)-3-phenoxypropanamide

C13H18N2O2 — CID 43595119

IUPACN-(3-aminocyclobutyl)-3-phenoxypropanamide
SMILESNC1CC(NC(=O)CCOc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-10-8-11(9-10)15-13(16)6-7-17-12-4-2-1-3-5-12/h1-5,10-11H,6-9,14H2,(H,15,16)
InChIKeyHKKUAMQBUVFKNI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.06
Rot. Bonds5

About N-(3-aminocyclobutyl)-3-phenoxypropanamide

N-(3-aminocyclobutyl)-3-phenoxypropanamide (PubChem CID 43595119) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-phenoxypropanamide
PubChem CID43595119
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-aminocyclobutyl)-3-phenoxypropanamide
SMILESNC1CC(NC(=O)CCOc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-10-8-11(9-10)15-13(16)6-7-17-12-4-2-1-3-5-12/h1-5,10-11H,6-9,14H2,(H,15,16)
InChIKeyHKKUAMQBUVFKNI-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide
CID 79698744
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide
CID 166431671
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
CID 43594528
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
CID 114189389
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-phenoxypropanamide (CID 43595119) is N-(3-aminocyclobutyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-phenoxypropanamide is NC1CC(NC(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-phenoxypropanamide?
The InChIKey is HKKUAMQBUVFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-8-11(9-10)15-13(16)6-7-17-12-4-2-1-3-5-12/h1-5,10-11H,6-9,14H2,(H,15,16).
What are the key properties of N-(3-aminocyclobutyl)-3-phenoxypropanamide?
N-(3-aminocyclobutyl)-3-phenoxypropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-phenoxypropanamide is sourced from PubChem (CID 43595119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).