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

C18H21NO4 — CID 51998192

IUPACN-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCCCCC3)oc2c1
InChIInChI=1S/C18H21NO4/c1-22-13-8-9-14-15(20)11-17(23-16(14)10-13)18(21)19-12-6-4-2-3-5-7-12/h8-12H,2-7H2,1H3,(H,19,21)
InChIKeyKYVAGLUGKCBCES-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.25
Rot. Bonds3

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

N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 51998192) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID51998192
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCCCCC3)oc2c1
InChIInChI=1S/C18H21NO4/c1-22-13-8-9-14-15(20)11-17(23-16(14)10-13)18(21)19-12-6-4-2-3-5-7-12/h8-12H,2-7H2,1H3,(H,19,21)
InChIKeyKYVAGLUGKCBCES-UHFFFAOYSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
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-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide (CID 51998192) is N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NC3CCCCCC3)oc2c1.
What is the InChIKey of N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is KYVAGLUGKCBCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-22-13-8-9-14-15(20)11-17(23-16(14)10-13)18(21)19-12-6-4-2-3-5-7-12/h8-12H,2-7H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide?
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51998192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).