1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide

C17H26N2O2 — CID 104979683

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N[C@H](C)c2ccccc2)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-5-21-14-11-17(18,16(14,3)4)15(20)19-12(2)13-9-7-6-8-10-13/h6-10,12,14H,5,11,18H2,1-4H3,(H,19,20)/t12-,14?,17?/m1/s1
InChIKeyXJNMQVWKLLLZHN-RFSCMCKOSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide (PubChem CID 104979683) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
PubChem CID104979683
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N[C@H](C)c2ccccc2)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-5-21-14-11-17(18,16(14,3)4)15(20)19-12(2)13-9-7-6-8-10-13/h6-10,12,14H,5,11,18H2,1-4H3,(H,19,20)/t12-,14?,17?/m1/s1
InChIKeyXJNMQVWKLLLZHN-RFSCMCKOSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829359
ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate
CID 15577140
1-amino-N-(1,1-dimethoxypropan-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829345
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 114828983
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid
CID 114829126
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966
1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827748

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide (CID 104979683) is 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N[C@H](C)c2ccccc2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide?
The InChIKey is XJNMQVWKLLLZHN-RFSCMCKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-21-14-11-17(18,16(14,3)4)15(20)19-12(2)13-9-7-6-8-10-13/h6-10,12,14H,5,11,18H2,1-4H3,(H,19,20)/t12-,14?,17?/m1/s1.
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 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-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 104979683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).