N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide

C16H22INO3 — CID 86900175

IUPACN-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide
SMILESO=C(CCCOc1ccc(I)cc1)NCCOCC1CC1
InChIInChI=1S/C16H22INO3/c17-14-5-7-15(8-6-14)21-10-1-2-16(19)18-9-11-20-12-13-3-4-13/h5-8,13H,1-4,9-12H2,(H,18,19)
InChIKeyVPEFDUTZIXVJKL-UHFFFAOYSA-N
MW403.26 g/mol
LogP2.99
Rot. Bonds10

About N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide

N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide (PubChem CID 86900175) has the molecular formula C16H22INO3 and a molecular weight of 403.26 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide
PubChem CID86900175
Molecular FormulaC16H22INO3
Molecular Weight403.26 g/mol
Exact Mass403.06
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide
SMILESO=C(CCCOc1ccc(I)cc1)NCCOCC1CC1
InChIInChI=1S/C16H22INO3/c17-14-5-7-15(8-6-14)21-10-1-2-16(19)18-9-11-20-12-13-3-4-13/h5-8,13H,1-4,9-12H2,(H,18,19)
InChIKeyVPEFDUTZIXVJKL-UHFFFAOYSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 52.99
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

4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514046
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 113343484
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111759865
9H-fluoren-9-ylmethyl N-[2-[4-[4-(4-bromophenoxy)butylamino]-4-oxobutoxy]ethyl]carbamate
CID 164944106

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide (CID 86900175) is N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide is O=C(CCCOc1ccc(I)cc1)NCCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide?
The InChIKey is VPEFDUTZIXVJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22INO3/c17-14-5-7-15(8-6-14)21-10-1-2-16(19)18-9-11-20-12-13-3-4-13/h5-8,13H,1-4,9-12H2,(H,18,19).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide?
N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide has a molecular weight of 403.26 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide is sourced from PubChem (CID 86900175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).