N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide

C15H20INO2 — CID 90297722

IUPACN-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2(CI)CC2)cc1
InChIInChI=1S/C15H20INO2/c1-19-13-7-5-12(6-8-13)3-2-4-14(18)17-15(11-16)9-10-15/h5-8H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyRDGIGXLMDYKVHB-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.10
Rot. Bonds7

About N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide

N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide (PubChem CID 90297722) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide
PubChem CID90297722
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC NameN-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2(CI)CC2)cc1
InChIInChI=1S/C15H20INO2/c1-19-13-7-5-12(6-8-13)3-2-4-14(18)17-15(11-16)9-10-15/h5-8H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyRDGIGXLMDYKVHB-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
CID 119214832
N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
CID 175624842
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
4-(4-methoxyphenyl)-1-(1-propan-2-ylcyclobutyl)butan-1-one
CID 143822953
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
5-(4-methoxyphenyl)pentanoyl chloride
CID 21497235

Frequently Asked Questions

What is the IUPAC name of N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide (CID 90297722) is N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)NC2(CI)CC2)cc1.
What is the InChIKey of N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide?
The InChIKey is RDGIGXLMDYKVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-19-13-7-5-12(6-8-13)3-2-4-14(18)17-15(11-16)9-10-15/h5-8H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide?
N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 373.23 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 90297722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).