N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide

C12H17NO2 — CID 94815272

IUPACN-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(C)[C@@H](C)C1CC1
InChIInChI=1S/C12H17NO2/c1-8-6-7-15-11(8)12(14)13(3)9(2)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyVAMZWKSMYGNFLJ-VIFPVBQESA-N
MW207.27 g/mol
LogP2.46
Rot. Bonds3

About N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide

N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide (PubChem CID 94815272) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide
PubChem CID94815272
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(C)[C@@H](C)C1CC1
InChIInChI=1S/C12H17NO2/c1-8-6-7-15-11(8)12(14)13(3)9(2)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyVAMZWKSMYGNFLJ-VIFPVBQESA-N
XLogP2.46
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide (CID 94815272) is N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide is Cc1ccoc1C(=O)N(C)[C@@H](C)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide?
The InChIKey is VAMZWKSMYGNFLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-7-15-11(8)12(14)13(3)9(2)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide?
N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide has a molecular weight of 207.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide is sourced from PubChem (CID 94815272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).