N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

C18H27NO2 — CID 94472198

IUPACN-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CCCCC2)o1
InChIInChI=1S/C18H27NO2/c1-13-12-16(13)17-10-8-15(21-17)9-11-18(20)19(2)14-6-4-3-5-7-14/h8,10,13-14,16H,3-7,9,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyRKLYIYVXKGASEQ-CJNGLKHVSA-N
MW289.42 g/mol
LogP4.13
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (PubChem CID 94472198) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
PubChem CID94472198
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CCCCC2)o1
InChIInChI=1S/C18H27NO2/c1-13-12-16(13)17-10-8-15(21-17)9-11-18(20)19(2)14-6-4-3-5-7-14/h8,10,13-14,16H,3-7,9,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyRKLYIYVXKGASEQ-CJNGLKHVSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (CID 94472198) is N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The InChIKey is RKLYIYVXKGASEQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-12-16(13)17-10-8-15(21-17)9-11-18(20)19(2)14-6-4-3-5-7-14/h8,10,13-14,16H,3-7,9,11-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is sourced from PubChem (CID 94472198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).