1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide

C15H26N4O2 — CID 114828694

IUPAC1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)Cc2nccn2C)C1(C)C
InChIInChI=1S/C15H26N4O2/c1-6-21-11-9-15(16,14(11,2)3)13(20)19(5)10-12-17-7-8-18(12)4/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyNWXYTVSZBKQKTJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.91
Rot. Bonds5

About 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 114828694) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID114828694
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)Cc2nccn2C)C1(C)C
InChIInChI=1S/C15H26N4O2/c1-6-21-11-9-15(16,14(11,2)3)13(20)19(5)10-12-17-7-8-18(12)4/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyNWXYTVSZBKQKTJ-UHFFFAOYSA-N
XLogP0.91
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
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1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
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4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
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2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
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4-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722011
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 114828694) is 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(C)Cc2nccn2C)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is NWXYTVSZBKQKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-21-11-9-15(16,14(11,2)3)13(20)19(5)10-12-17-7-8-18(12)4/h7-8,11H,6,9-10,16H2,1-5H3.
What are the key properties of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114828694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).