3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C13H20N2O2 — CID 55104325

IUPAC3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)C(C)CN)C2CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9(7-14)13(16)15(11-4-5-11)8-12-6-3-10(2)17-12/h3,6,9,11H,4-5,7-8,14H2,1-2H3
InChIKeyMOHCYUPXCFSNJS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 55104325) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID55104325
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)C(C)CN)C2CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9(7-14)13(16)15(11-4-5-11)8-12-6-3-10(2)17-12/h3,6,9,11H,4-5,7-8,14H2,1-2H3
InChIKeyMOHCYUPXCFSNJS-UHFFFAOYSA-N
XLogP1.67
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 103929276
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 54871939
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93378560
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 61108342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 55104325) is 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C(=O)C(C)CN)C2CC2)o1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is MOHCYUPXCFSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(7-14)13(16)15(11-4-5-11)8-12-6-3-10(2)17-12/h3,6,9,11H,4-5,7-8,14H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 55104325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).