N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide

C16H23IN2O2 — CID 63871820

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
SMILESNC1CCC(OCCCNC(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C16H23IN2O2/c17-13-4-2-12(3-5-13)16(20)19-10-1-11-21-15-8-6-14(18)7-9-15/h2-5,14-15H,1,6-11,18H2,(H,19,20)
InChIKeyIEJVMGDDLVXQCL-UHFFFAOYSA-N
MW402.28 g/mol
LogP2.70
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide

N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide (PubChem CID 63871820) has the molecular formula C16H23IN2O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
PubChem CID63871820
Molecular FormulaC16H23IN2O2
Molecular Weight402.28 g/mol
Exact Mass402.08
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
SMILESNC1CCC(OCCCNC(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C16H23IN2O2/c17-13-4-2-12(3-5-13)16(20)19-10-1-11-21-15-8-6-14(18)7-9-15/h2-5,14-15H,1,6-11,18H2,(H,19,20)
InChIKeyIEJVMGDDLVXQCL-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
CID 63871144
N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
CID 63871479
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide (CID 63871820) is N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide is NC1CCC(OCCCNC(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide?
The InChIKey is IEJVMGDDLVXQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O2/c17-13-4-2-12(3-5-13)16(20)19-10-1-11-21-15-8-6-14(18)7-9-15/h2-5,14-15H,1,6-11,18H2,(H,19,20).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide has a molecular weight of 402.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide is sourced from PubChem (CID 63871820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).