2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide

C19H25NO3 — CID 102559083

IUPAC2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)cc2c1OCCC2NC(=O)C1CC1C1CCC1
InChIInChI=1S/C19H25NO3/c1-11-8-15-16(6-7-23-18(15)17(9-11)22-2)20-19(21)14-10-13(14)12-4-3-5-12/h8-9,12-14,16H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyPEEQWNYVMBLATE-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.38
Rot. Bonds4

About 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide

2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide (PubChem CID 102559083) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide
PubChem CID102559083
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)cc2c1OCCC2NC(=O)C1CC1C1CCC1
InChIInChI=1S/C19H25NO3/c1-11-8-15-16(6-7-23-18(15)17(9-11)22-2)20-19(21)14-10-13(14)12-4-3-5-12/h8-9,12-14,16H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyPEEQWNYVMBLATE-UHFFFAOYSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide (CID 102559083) is 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide is COc1cc(C)cc2c1OCCC2NC(=O)C1CC1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide?
The InChIKey is PEEQWNYVMBLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-11-8-15-16(6-7-23-18(15)17(9-11)22-2)20-19(21)14-10-13(14)12-4-3-5-12/h8-9,12-14,16H,3-7,10H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide?
2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102559083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).