N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide

C22H26N2O5 — CID 166234872

IUPACN-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide
SMILESCCC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3OC)cc1
InChIInChI=1S/C22H26N2O5/c1-4-14(2)29-16-10-8-15(9-11-16)23-21(25)22(26)24-18-7-5-6-17-19(27-3)12-13-28-20(17)18/h5-11,14,19H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNMIRXDFSHSURNE-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.91
Rot. Bonds6

About N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide

N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide (PubChem CID 166234872) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide
PubChem CID166234872
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide
SMILESCCC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3OC)cc1
InChIInChI=1S/C22H26N2O5/c1-4-14(2)29-16-10-8-15(9-11-16)23-21(25)22(26)24-18-7-5-6-17-19(27-3)12-13-28-20(17)18/h5-11,14,19H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNMIRXDFSHSURNE-UHFFFAOYSA-N
XLogP3.91
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 17142081
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4-butan-2-yloxy-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761650
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(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
N-(4-butan-2-yloxyphenyl)-4-phenyloxane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide (CID 166234872) is N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide is CCC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3OC)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide?
The InChIKey is NMIRXDFSHSURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-14(2)29-16-10-8-15(9-11-16)23-21(25)22(26)24-18-7-5-6-17-19(27-3)12-13-28-20(17)18/h5-11,14,19H,4,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide?
N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide has a molecular weight of 398.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-N'-(4-methoxy-3,4-dihydro-2H-chromen-8-yl)oxamide is sourced from PubChem (CID 166234872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).