N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide

C18H21NO3 — CID 1143423

IUPACN-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)C1CCCCC1
InChIInChI=1S/C18H21NO3/c1-2-19(14-9-4-3-5-10-14)17(20)15-12-13-8-6-7-11-16(13)22-18(15)21/h6-8,11-12,14H,2-5,9-10H2,1H3
InChIKeyXHQZCLKELNZTHY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.59
Rot. Bonds3

About N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide

N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide (PubChem CID 1143423) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide
PubChem CID1143423
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)C1CCCCC1
InChIInChI=1S/C18H21NO3/c1-2-19(14-9-4-3-5-10-14)17(20)15-12-13-8-6-7-11-16(13)22-18(15)21/h6-8,11-12,14H,2-5,9-10H2,1H3
InChIKeyXHQZCLKELNZTHY-UHFFFAOYSA-N
XLogP3.59
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 120587
CID 120587
CID 728535
CID 728535
CID 28914
CID 28914
CID 724217
CID 724217
CID 3559465
CID 3559465
CID 712647
CID 712647
CID 2788317
CID 2788317
CID 599283
CID 599283
CID 28913
CID 28913
CID 28912
CID 28912
CID 1143426
CID 1143426
CID 823440
CID 823440

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide (CID 1143423) is N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide is CCN(C(=O)c1cc2ccccc2oc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide?
The InChIKey is XHQZCLKELNZTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-19(14-9-4-3-5-10-14)17(20)15-12-13-8-6-7-11-16(13)22-18(15)21/h6-8,11-12,14H,2-5,9-10H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide?
N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1143423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).