2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide

C30H30N2O6 — CID 25387928

IUPAC2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2cc3ccccc3oc2=O)C[C@](C)(CNC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C30H30N2O6/c1-29(2)14-20(32-26(34)22-13-19-9-5-7-11-24(19)38-28(22)36)15-30(3,16-29)17-31-25(33)21-12-18-8-4-6-10-23(18)37-27(21)35/h4-13,20H,14-17H2,1-3H3,(H,31,33)(H,32,34)/t20-,30-/m0/s1
InChIKeyKIDYVYCXLARYHV-WRGVRERRSA-N
MW514.58 g/mol
LogP4.64
Rot. Bonds5

About 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide

2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide (PubChem CID 25387928) has the molecular formula C30H30N2O6 and a molecular weight of 514.58 g/mol. Its IUPAC name is 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
PubChem CID25387928
Molecular FormulaC30H30N2O6
Molecular Weight514.58 g/mol
Exact Mass514.21
IUPAC Name2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2cc3ccccc3oc2=O)C[C@](C)(CNC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C30H30N2O6/c1-29(2)14-20(32-26(34)22-13-19-9-5-7-11-24(19)38-28(22)36)15-30(3,16-29)17-31-25(33)21-12-18-8-4-6-10-23(18)37-27(21)35/h4-13,20H,14-17H2,1-3H3,(H,31,33)(H,32,34)/t20-,30-/m0/s1
InChIKeyKIDYVYCXLARYHV-WRGVRERRSA-N
XLogP4.64
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide
CID 42145626
2-(2-methylphenyl)-N-[[(1R,5S)-1,3,3-trimethyl-5-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]quinoline-4-carboxamide
CID 40732776
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
CID 67179801
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
CID 110486348

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide (CID 25387928) is 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide is CC1(C)C[C@H](NC(=O)c2cc3ccccc3oc2=O)C[C@](C)(CNC(=O)c2cc3ccccc3oc2=O)C1.
What is the InChIKey of 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide?
The InChIKey is KIDYVYCXLARYHV-WRGVRERRSA-N. The full InChI is InChI=1S/C30H30N2O6/c1-29(2)14-20(32-26(34)22-13-19-9-5-7-11-24(19)38-28(22)36)15-30(3,16-29)17-31-25(33)21-12-18-8-4-6-10-23(18)37-27(21)35/h4-13,20H,14-17H2,1-3H3,(H,31,33)(H,32,34)/t20-,30-/m0/s1.
What are the key properties of 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide?
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 25387928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).