N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

C19H25NO3 — CID 99577588

IUPACN-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)CCCO1
InChIInChI=1S/C19H25NO3/c1-12-10-17(12)18-8-7-15(23-18)11-20(14-5-6-14)19(21)16-4-3-9-22-13(16)2/h7-8,12,14,17H,3-6,9-11H2,1-2H3/t12-,17+/m0/s1
InChIKeyXCBVFEBSMVWKIQ-YVEFUNNKSA-N
MW315.41 g/mol
LogP3.98
Rot. Bonds5

About N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 99577588) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID99577588
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)CCCO1
InChIInChI=1S/C19H25NO3/c1-12-10-17(12)18-8-7-15(23-18)11-20(14-5-6-14)19(21)16-4-3-9-22-13(16)2/h7-8,12,14,17H,3-6,9-11H2,1-2H3/t12-,17+/m0/s1
InChIKeyXCBVFEBSMVWKIQ-YVEFUNNKSA-N
XLogP3.98
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 99577588) is N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)CCCO1.
What is the InChIKey of N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is XCBVFEBSMVWKIQ-YVEFUNNKSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-10-17(12)18-8-7-15(23-18)11-20(14-5-6-14)19(21)16-4-3-9-22-13(16)2/h7-8,12,14,17H,3-6,9-11H2,1-2H3/t12-,17+/m0/s1.
What are the key properties of N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 99577588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).