2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide

C26H33NO4 — CID 10320108

IUPAC2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1c(OCCCCCCc2ccccc2)ccc2c1OCCC2=O
InChIInChI=1S/C26H33NO4/c1-26(2,3)25(29)27-23-22(15-14-20-21(28)16-18-31-24(20)23)30-17-10-5-4-7-11-19-12-8-6-9-13-19/h6,8-9,12-15H,4-5,7,10-11,16-18H2,1-3H3,(H,27,29)
InChIKeyQAMCEORSKKQVMR-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.82
Rot. Bonds9

About 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide

2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide (PubChem CID 10320108) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
PubChem CID10320108
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1c(OCCCCCCc2ccccc2)ccc2c1OCCC2=O
InChIInChI=1S/C26H33NO4/c1-26(2,3)25(29)27-23-22(15-14-20-21(28)16-18-31-24(20)23)30-17-10-5-4-7-11-19-12-8-6-9-13-19/h6,8-9,12-15H,4-5,7,10-11,16-18H2,1-3H3,(H,27,29)
InChIKeyQAMCEORSKKQVMR-UHFFFAOYSA-N
XLogP5.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-Methoxy-4-chromanon-8-yl)-2,2-dimethyldodecanamide
CID 9953017
E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one
CID 72188750
4-(3-Morpholinopropoxy)-N-(m-tolyl)-2-hydroxybenzamide (10a)
CID 91937890
N1-(2-methylphenyl)-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide
CID 2728610
N-(7-decoxy-4-oxochromen-8-yl)-2,2-dimethylpropanamide
CID 10001118
N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-4-[6-(2-methylpropoxy)hexoxy]benzamide
CID 10004878
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide
CID 10075673
4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
CID 10077999
4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
CID 10256261
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide
CID 10363810
8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide
CID 10393792
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide
CID 10428676

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide (CID 10320108) is 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide is CC(C)(C)C(=O)Nc1c(OCCCCCCc2ccccc2)ccc2c1OCCC2=O.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide?
The InChIKey is QAMCEORSKKQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-26(2,3)25(29)27-23-22(15-14-20-21(28)16-18-31-24(20)23)30-17-10-5-4-7-11-19-12-8-6-9-13-19/h6,8-9,12-15H,4-5,7,10-11,16-18H2,1-3H3,(H,27,29).
What are the key properties of 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide?
2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide has a molecular weight of 423.55 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide is sourced from PubChem (CID 10320108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).