4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide

C17H26INO3 — CID 139895483

IUPAC4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
SMILESCCCCOCCCC(=O)Nc1ccc(OCCCI)cc1
InChIInChI=1S/C17H26INO3/c1-2-3-12-21-13-4-6-17(20)19-15-7-9-16(10-8-15)22-14-5-11-18/h7-10H,2-6,11-14H2,1H3,(H,19,20)
InChIKeyBLANVCYEQZLADH-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.43
Rot. Bonds12

About 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide

4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide (PubChem CID 139895483) has the molecular formula C17H26INO3 and a molecular weight of 419.30 g/mol. Its IUPAC name is 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
PubChem CID139895483
Molecular FormulaC17H26INO3
Molecular Weight419.30 g/mol
Exact Mass419.10
IUPAC Name4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
SMILESCCCCOCCCC(=O)Nc1ccc(OCCCI)cc1
InChIInChI=1S/C17H26INO3/c1-2-3-12-21-13-4-6-17(20)19-15-7-9-16(10-8-15)22-14-5-11-18/h7-10H,2-6,11-14H2,1H3,(H,19,20)
InChIKeyBLANVCYEQZLADH-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)butanamide
CID 4939679
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(4-decoxyphenyl)butanamide
CID 143303175
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(2-ethenoxyethoxy)phenyl]pentanamide
CID 102477298
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide?
The IUPAC name of 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide (CID 139895483) is 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide.
What is the SMILES notation for 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide?
The canonical SMILES for 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide is CCCCOCCCC(=O)Nc1ccc(OCCCI)cc1.
What is the InChIKey of 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide?
The InChIKey is BLANVCYEQZLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26INO3/c1-2-3-12-21-13-4-6-17(20)19-15-7-9-16(10-8-15)22-14-5-11-18/h7-10H,2-6,11-14H2,1H3,(H,19,20).
What are the key properties of 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide?
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide has a molecular weight of 419.30 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide is sourced from PubChem (CID 139895483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).