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

C15H28N2O2 — CID 114829995

IUPAC1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC2(CC)CCC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-14(8-7-9-14)17-12(18)15(16)10-11(19-6-2)13(15,3)4/h11H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyXJUDAHKQSCYXOB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds5

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

1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114829995) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114829995
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC2(CC)CCC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-14(8-7-9-14)17-12(18)15(16)10-11(19-6-2)13(15,3)4/h11H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyXJUDAHKQSCYXOB-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829130
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-2,2-dimethyl-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 104979713
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 114829995) is 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC2(CC)CCC2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is XJUDAHKQSCYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-14(8-7-9-14)17-12(18)15(16)10-11(19-6-2)13(15,3)4/h11H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).