N-(2,5-diheptoxy-4-iodophenyl)acetamide

C22H36INO3 — CID 139913826

IUPACN-(2,5-diheptoxy-4-iodophenyl)acetamide
SMILESCCCCCCCOc1cc(NC(C)=O)c(OCCCCCCC)cc1I
InChIInChI=1S/C22H36INO3/c1-4-6-8-10-12-14-26-21-17-20(24-18(3)25)22(16-19(21)23)27-15-13-11-9-7-5-2/h16-17H,4-15H2,1-3H3,(H,24,25)
InChIKeyQWDYZSRBYMSDSZ-UHFFFAOYSA-N
MW489.44 g/mol
LogP6.95
Rot. Bonds15

About N-(2,5-diheptoxy-4-iodophenyl)acetamide

N-(2,5-diheptoxy-4-iodophenyl)acetamide (PubChem CID 139913826) has the molecular formula C22H36INO3 and a molecular weight of 489.44 g/mol. Its IUPAC name is N-(2,5-diheptoxy-4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-diheptoxy-4-iodophenyl)acetamide
PubChem CID139913826
Molecular FormulaC22H36INO3
Molecular Weight489.44 g/mol
Exact Mass489.17
IUPAC NameN-(2,5-diheptoxy-4-iodophenyl)acetamide
SMILESCCCCCCCOc1cc(NC(C)=O)c(OCCCCCCC)cc1I
InChIInChI=1S/C22H36INO3/c1-4-6-8-10-12-14-26-21-17-20(24-18(3)25)22(16-19(21)23)27-15-13-11-9-7-5-2/h16-17H,4-15H2,1-3H3,(H,24,25)
InChIKeyQWDYZSRBYMSDSZ-UHFFFAOYSA-N
XLogP6.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.44
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decoxy-2,5-diiodo-4-methylbenzene
CID 70847415
4-(3-acetamido-4-octoxyphenyl)benzoic acid
CID 22131797
methyl 6-[2,5-diiodo-4-(6-methoxy-6-oxohexoxy)phenoxy]hexanoate
CID 102442509
4-hexoxy-3-iodobenzoic acid
CID 44828901
4-acetamido-2-butoxy-5-(ethylamino)benzoic acid
CID 155680018
N-(2,4-dichloro-5-propoxyphenyl)acetamide
CID 165356736
1-(4-acetyl-2,5-dihexadecoxyphenyl)ethanone
CID 101035610
5-amino-N-[5-[(5-amino-2-butoxybenzoyl)amino]-2,4-dioctoxyphenyl]-2-butoxybenzamide
CID 102030458
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
2-[(4,5-dimethyl-2-tetradecoxyphenyl)carbamoyl]benzoic acid
CID 51000555
N-(3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)acetamide
CID 10456287

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diheptoxy-4-iodophenyl)acetamide?
The IUPAC name of N-(2,5-diheptoxy-4-iodophenyl)acetamide (CID 139913826) is N-(2,5-diheptoxy-4-iodophenyl)acetamide.
What is the SMILES notation for N-(2,5-diheptoxy-4-iodophenyl)acetamide?
The canonical SMILES for N-(2,5-diheptoxy-4-iodophenyl)acetamide is CCCCCCCOc1cc(NC(C)=O)c(OCCCCCCC)cc1I.
What is the InChIKey of N-(2,5-diheptoxy-4-iodophenyl)acetamide?
The InChIKey is QWDYZSRBYMSDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36INO3/c1-4-6-8-10-12-14-26-21-17-20(24-18(3)25)22(16-19(21)23)27-15-13-11-9-7-5-2/h16-17H,4-15H2,1-3H3,(H,24,25).
What are the key properties of N-(2,5-diheptoxy-4-iodophenyl)acetamide?
N-(2,5-diheptoxy-4-iodophenyl)acetamide has a molecular weight of 489.44 g/mol, XLogP of 6.95, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diheptoxy-4-iodophenyl)acetamide is sourced from PubChem (CID 139913826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).