1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide

C12H18N2O2 — CID 81179940

IUPAC1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(N)CCC2)o1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-10(16-9)8-14(2)11(15)12(13)6-3-7-12/h4-5H,3,6-8,13H2,1-2H3
InChIKeyKYMYXAWEXGXCCI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds3

About 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide

1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 81179940) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID81179940
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(N)CCC2)o1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-10(16-9)8-14(2)11(15)12(13)6-3-7-12/h4-5H,3,6-8,13H2,1-2H3
InChIKeyKYMYXAWEXGXCCI-UHFFFAOYSA-N
XLogP1.43
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxetane-3-carboxylic acid
CID 115185022
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
1-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 81178859
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63130099
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
CID 114990412
1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 81171712
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide (CID 81179940) is 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide is Cc1ccc(CN(C)C(=O)C2(N)CCC2)o1.
What is the InChIKey of 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is KYMYXAWEXGXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-10(16-9)8-14(2)11(15)12(13)6-3-7-12/h4-5H,3,6-8,13H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide?
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81179940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).