1-(2-methoxyanilino)cyclobutane-1-carboxamide

C12H16N2O2 — CID 60996883

IUPAC1-(2-methoxyanilino)cyclobutane-1-carboxamide
SMILESCOc1ccccc1NC1(C(N)=O)CCC1
InChIInChI=1S/C12H16N2O2/c1-16-10-6-3-2-5-9(10)14-12(11(13)15)7-4-8-12/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,15)
InChIKeyRTJYTYKRPVEOJT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.52
Rot. Bonds4

About 1-(2-methoxyanilino)cyclobutane-1-carboxamide

1-(2-methoxyanilino)cyclobutane-1-carboxamide (PubChem CID 60996883) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxyanilino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyanilino)cyclobutane-1-carboxamide
PubChem CID60996883
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-methoxyanilino)cyclobutane-1-carboxamide
SMILESCOc1ccccc1NC1(C(N)=O)CCC1
InChIInChI=1S/C12H16N2O2/c1-16-10-6-3-2-5-9(10)14-12(11(13)15)7-4-8-12/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,15)
InChIKeyRTJYTYKRPVEOJT-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166159
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
ethane;(2-methoxyphenyl)urea
CID 143063924
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methoxyanilino)cyclobutane-1-carboxamide (CID 60996883) is 1-(2-methoxyanilino)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyanilino)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyanilino)cyclobutane-1-carboxamide is COc1ccccc1NC1(C(N)=O)CCC1.
What is the InChIKey of 1-(2-methoxyanilino)cyclobutane-1-carboxamide?
The InChIKey is RTJYTYKRPVEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-10-6-3-2-5-9(10)14-12(11(13)15)7-4-8-12/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,15).
What are the key properties of 1-(2-methoxyanilino)cyclobutane-1-carboxamide?
1-(2-methoxyanilino)cyclobutane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)cyclobutane-1-carboxamide is sourced from PubChem (CID 60996883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).