N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide

C13H25NO2 — CID 20614531

IUPACN-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
SMILESCOC(C)C(C)NC(=O)C1(C)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-9(10(2)16-6)14-11(15)13(5)7-12(3,4)8-13/h9-10H,7-8H2,1-6H3,(H,14,15)
InChIKeyAJMFKSDJKNPFDF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide

N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide (PubChem CID 20614531) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
PubChem CID20614531
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
SMILESCOC(C)C(C)NC(=O)C1(C)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-9(10(2)16-6)14-11(15)13(5)7-12(3,4)8-13/h9-10H,7-8H2,1-6H3,(H,14,15)
InChIKeyAJMFKSDJKNPFDF-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 3283275
3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide
CID 20614522
N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
CID 20614530
N-(2-methoxyethyl)-1-methylcyclobutane-1-carboxamide
CID 20784561
2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366325
4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide
CID 21366392
N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 59170007
N-[(2R,3S)-3-methoxybutan-2-yl]-1,3,3-trimethylcyclobutane-1-carboxamide
CID 60062722
4-methyl-N-(oxetan-3-yl)pentanamide
CID 80108409
3,3-dimethyl-N-(oxetan-3-yl)butanamide
CID 80109208
2,2-dimethyl-N-(oxetan-3-yl)butanamide
CID 80109507
2-ethoxy-N-ethyl-4,4-dimethylpentanamide
CID 89093025

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide (CID 20614531) is N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide is COC(C)C(C)NC(=O)C1(C)CC(C)(C)C1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
The InChIKey is AJMFKSDJKNPFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(10(2)16-6)14-11(15)13(5)7-12(3,4)8-13/h9-10H,7-8H2,1-6H3,(H,14,15).
What are the key properties of N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 20614531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).