1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C15H30N2O2 — CID 103461507

IUPAC1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)(C)CC)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-7-13(3,4)10-17-12(18)15(16)9-11(19-8-2)14(15,5)6/h11H,7-10,16H2,1-6H3,(H,17,18)
InChIKeyBIGDYHVDSYRXQA-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.07
Rot. Bonds6

About 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 103461507) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID103461507
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)(C)CC)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-7-13(3,4)10-17-12(18)15(16)9-11(19-8-2)14(15,5)6/h11H,7-10,16H2,1-6H3,(H,17,18)
InChIKeyBIGDYHVDSYRXQA-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carboxamide
CID 105055851
1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
CID 105055889
1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 105055985
1-amino-N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 105910304
1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutane-1-carboxamide
CID 105937472
1-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 106176930
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide
CID 106213269
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291837
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 113639724
1-amino-N-(2,2-difluoroethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 113639809
1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 114828498
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 114828630

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 103461507) is 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(C)(C)CC)C1(C)C.
What is the InChIKey of 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is BIGDYHVDSYRXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-13(3,4)10-17-12(18)15(16)9-11(19-8-2)14(15,5)6/h11H,7-10,16H2,1-6H3,(H,17,18).
What are the key properties of 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-dimethylbutyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 103461507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).