N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide

C17H19NO4 — CID 51998191

IUPACN-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCCCC3)oc2c1
InChIInChI=1S/C17H19NO4/c1-21-12-7-8-13-14(19)10-16(22-15(13)9-12)17(20)18-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,20)
InChIKeyHZHHKVVVHAXQLS-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.86
Rot. Bonds3

About N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide

N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 51998191) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID51998191
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCCCC3)oc2c1
InChIInChI=1S/C17H19NO4/c1-21-12-7-8-13-14(19)10-16(22-15(13)9-12)17(20)18-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,20)
InChIKeyHZHHKVVVHAXQLS-UHFFFAOYSA-N
XLogP2.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11464897
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide (CID 51998191) is N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NC3CCCCC3)oc2c1.
What is the InChIKey of N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is HZHHKVVVHAXQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-12-7-8-13-14(19)10-16(22-15(13)9-12)17(20)18-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide?
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51998191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).