N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide

C13H20N2O2 — CID 115272187

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC2(CN)CCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)12(16)15(2)9-13(8-14)6-3-7-13/h4-5H,3,6-9,14H2,1-2H3
InChIKeyUNCALLMCIPMLPM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide (PubChem CID 115272187) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
PubChem CID115272187
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC2(CN)CCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)12(16)15(2)9-13(8-14)6-3-7-13/h4-5H,3,6-9,14H2,1-2H3
InChIKeyUNCALLMCIPMLPM-UHFFFAOYSA-N
XLogP1.79
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)furan-2-carboxamide
CID 723466
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
4-[(5-Methyl-furan-2-carbonyl)-amino]-butyric acid
CID 573299
N-cycloheptyl-5-methylfuran-2-carboxamide
CID 897030
N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 903828
5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 3153878
N-(cyclohexylmethyl)furan-2-carboxamide
CID 1245006
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-furan-2-yl}-methanone
CID 11645244

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide (CID 115272187) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide is Cc1ccc(C(=O)N(C)CC2(CN)CCC2)o1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide?
The InChIKey is UNCALLMCIPMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)12(16)15(2)9-13(8-14)6-3-7-13/h4-5H,3,6-9,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 115272187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).