N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

C21H27NO4 — CID 7700608

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCC[C@H]3C)ccc12
InChIInChI=1S/C21H27NO4/c1-13(2)17-11-21(24)26-19-10-15(8-9-16(17)19)25-12-20(23)22-18-7-5-4-6-14(18)3/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyRBWLNIBFAJRBDR-RDTXWAMCSA-N
MW357.45 g/mol
LogP3.99
Rot. Bonds5

About N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (PubChem CID 7700608) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
PubChem CID7700608
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCC[C@H]3C)ccc12
InChIInChI=1S/C21H27NO4/c1-13(2)17-11-21(24)26-19-10-15(8-9-16(17)19)25-12-20(23)22-18-7-5-4-6-14(18)3/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyRBWLNIBFAJRBDR-RDTXWAMCSA-N
XLogP3.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.99
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

[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 11934407
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-dibenzofuran-2-yloxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7916392
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700484
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26003137

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (CID 7700608) is N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCC[C@H]3C)ccc12.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The InChIKey is RBWLNIBFAJRBDR-RDTXWAMCSA-N. The full InChI is InChI=1S/C21H27NO4/c1-13(2)17-11-21(24)26-19-10-15(8-9-16(17)19)25-12-20(23)22-18-7-5-4-6-14(18)3/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,22,23)/t14-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide has a molecular weight of 357.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 7700608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).