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

C33H55NO4 — CID 10075673

IUPACN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCCCCC)OCCC2=O
InChIInChI=1S/C33H55NO4/c1-5-7-9-11-13-15-17-19-24-33(3,4)32(36)34-30-29(22-21-27-28(35)23-26-38-31(27)30)37-25-20-18-16-14-12-10-8-6-2/h21-22H,5-20,23-26H2,1-4H3,(H,34,36)
InChIKeyZFQSERQKKMWWKR-UHFFFAOYSA-N
MW529.81 g/mol
LogP9.67
Rot. Bonds21

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

N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide (PubChem CID 10075673) has the molecular formula C33H55NO4 and a molecular weight of 529.81 g/mol. Its IUPAC name is N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide
PubChem CID10075673
Molecular FormulaC33H55NO4
Molecular Weight529.81 g/mol
Exact Mass529.41
IUPAC NameN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCCCCC)OCCC2=O
InChIInChI=1S/C33H55NO4/c1-5-7-9-11-13-15-17-19-24-33(3,4)32(36)34-30-29(22-21-27-28(35)23-26-38-31(27)30)37-25-20-18-16-14-12-10-8-6-2/h21-22H,5-20,23-26H2,1-4H3,(H,34,36)
InChIKeyZFQSERQKKMWWKR-UHFFFAOYSA-N
XLogP9.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.81
LogP ≤ 59.67
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
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
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
2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
CID 10320108
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
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]propanamide
CID 118060425
(E)-3-[3-(benzylamino)-4-methoxyphenyl]-1-(5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one
CID 118060599

Frequently Asked Questions

What is the IUPAC name of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide?
The IUPAC name of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide (CID 10075673) is N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide.
What is the SMILES notation for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide?
The canonical SMILES for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide is CCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCCCCC)OCCC2=O.
What is the InChIKey of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide?
The InChIKey is ZFQSERQKKMWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55NO4/c1-5-7-9-11-13-15-17-19-24-33(3,4)32(36)34-30-29(22-21-27-28(35)23-26-38-31(27)30)37-25-20-18-16-14-12-10-8-6-2/h21-22H,5-20,23-26H2,1-4H3,(H,34,36).
What are the key properties of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide?
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide has a molecular weight of 529.81 g/mol, XLogP of 9.67, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide is sourced from PubChem (CID 10075673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).