2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide

C23H29NO4 — CID 5263615

IUPAC2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NC3CC4CCC3(C)C4(C)C)c(=O)oc2c1
InChIInChI=1S/C23H29NO4/c1-5-10-27-16-7-6-14-11-17(21(26)28-18(14)13-16)20(25)24-19-12-15-8-9-23(19,4)22(15,2)3/h6-7,11,13,15,19H,5,8-10,12H2,1-4H3,(H,24,25)
InChIKeyVKXKOOJMZNZINW-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.53
Rot. Bonds5

About 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide

2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide (PubChem CID 5263615) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide
PubChem CID5263615
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NC3CC4CCC3(C)C4(C)C)c(=O)oc2c1
InChIInChI=1S/C23H29NO4/c1-5-10-27-16-7-6-14-11-17(21(26)28-18(14)13-16)20(25)24-19-12-15-8-9-23(19,4)22(15,2)3/h6-7,11,13,15,19H,5,8-10,12H2,1-4H3,(H,24,25)
InChIKeyVKXKOOJMZNZINW-UHFFFAOYSA-N
XLogP4.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185659
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
3-acetyl-7-butoxychromen-2-one
CID 166072598
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 171906894
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868

Frequently Asked Questions

What is the IUPAC name of 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide (CID 5263615) is 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide is CCCOc1ccc2cc(C(=O)NC3CC4CCC3(C)C4(C)C)c(=O)oc2c1.
What is the InChIKey of 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide?
The InChIKey is VKXKOOJMZNZINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-10-27-16-7-6-14-11-17(21(26)28-18(14)13-16)20(25)24-19-12-15-8-9-23(19,4)22(15,2)3/h6-7,11,13,15,19H,5,8-10,12H2,1-4H3,(H,24,25).
What are the key properties of 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide?
2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide is sourced from PubChem (CID 5263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).