N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide

C17H26N2O2 — CID 79698744

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)CCOc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-16(2)14(18)17(3,4)15(16)19-13(20)10-11-21-12-8-6-5-7-9-12/h5-9,14-15H,10-11,18H2,1-4H3,(H,19,20)
InChIKeyLLPBZACGABEDRY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.33
Rot. Bonds5

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide (PubChem CID 79698744) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide
PubChem CID79698744
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)CCOc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-16(2)14(18)17(3,4)15(16)19-13(20)10-11-21-12-8-6-5-7-9-12/h5-9,14-15H,10-11,18H2,1-4H3,(H,19,20)
InChIKeyLLPBZACGABEDRY-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
CID 82724045
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
CID 43594528
methyl N-(3-phenoxypropanoyl)carbamate
CID 15317639
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
acetamido 3-phenoxypropanoate
CID 57060958
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
(4-phenoxybutanoylamino) acetate
CID 175438575
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
CID 114189389
3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131912111
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide (CID 79698744) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide is CC1(C)C(N)C(C)(C)C1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide?
The InChIKey is LLPBZACGABEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)14(18)17(3,4)15(16)19-13(20)10-11-21-12-8-6-5-7-9-12/h5-9,14-15H,10-11,18H2,1-4H3,(H,19,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide is sourced from PubChem (CID 79698744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).