8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide

C35H50ClNO5 — CID 10393792

IUPAC8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc(Cl)cc1)OCCC2=O
InChIInChI=1S/C35H50ClNO5/c1-4-5-6-7-8-9-11-15-25-41-31-21-20-29-30(38)22-26-42-33(29)32(31)37-34(39)35(2,3)23-13-10-12-14-24-40-28-18-16-27(36)17-19-28/h16-21H,4-15,22-26H2,1-3H3,(H,37,39)
InChIKeyQEDGZWHZRKCUFC-UHFFFAOYSA-N
MW600.24 g/mol
LogP9.82
Rot. Bonds20

About 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide

8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide (PubChem CID 10393792) has the molecular formula C35H50ClNO5 and a molecular weight of 600.24 g/mol. Its IUPAC name is 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide.

Molecular Properties

Compound Name8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide
PubChem CID10393792
Molecular FormulaC35H50ClNO5
Molecular Weight600.24 g/mol
Exact Mass599.34
IUPAC Name8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc(Cl)cc1)OCCC2=O
InChIInChI=1S/C35H50ClNO5/c1-4-5-6-7-8-9-11-15-25-41-31-21-20-29-30(38)22-26-42-33(29)32(31)37-34(39)35(2,3)23-13-10-12-14-24-40-28-18-16-27(36)17-19-28/h16-21H,4-15,22-26H2,1-3H3,(H,37,39)
InChIKeyQEDGZWHZRKCUFC-UHFFFAOYSA-N
XLogP9.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.24
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide
CID 86749976
7-(4-chlorophenoxy)-2,2-dimethyl-N-(7-methyl-4-oxochromen-8-yl)heptanamide
CID 10433437
6-(4-chlorophenoxy)-2,2-dimethylhexanoyl chloride
CID 10039793
3-[5-chloro-2-[5-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]pentoxy]phenyl]propanoic acid
CID 15295000
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
3-[3-[5-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]pentoxy]phenyl]propanoic acid
CID 19921949
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
N-[(4-heptoxyphenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 4951646
5-(2,5-dimethylphenoxy)-N-[(4-heptoxyphenyl)carbamothioyl]-2,2-dimethylpentanamide
CID 54784310
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
N-[(4-chlorophenyl)methyl]-4-heptoxyaniline
CID 54799311

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide?
The IUPAC name of 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide (CID 10393792) is 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide.
What is the SMILES notation for 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide?
The canonical SMILES for 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide is CCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc(Cl)cc1)OCCC2=O.
What is the InChIKey of 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide?
The InChIKey is QEDGZWHZRKCUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50ClNO5/c1-4-5-6-7-8-9-11-15-25-41-31-21-20-29-30(38)22-26-42-33(29)32(31)37-34(39)35(2,3)23-13-10-12-14-24-40-28-18-16-27(36)17-19-28/h16-21H,4-15,22-26H2,1-3H3,(H,37,39).
What are the key properties of 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide?
8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide has a molecular weight of 600.24 g/mol, XLogP of 9.82, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide is sourced from PubChem (CID 10393792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).