4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide

C15H21IN2O — CID 43791667

IUPAC4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)c1ccc(I)cc1
InChIInChI=1S/C15H21IN2O/c1-10(11-2-6-13(16)7-3-11)18-14-8-4-12(5-9-14)15(17)19/h2-3,6-7,10,12,14,18H,4-5,8-9H2,1H3,(H2,17,19)
InChIKeyBMBWPJVDKTZPFX-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.99
Rot. Bonds4

About 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide

4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 43791667) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
PubChem CID43791667
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)c1ccc(I)cc1
InChIInChI=1S/C15H21IN2O/c1-10(11-2-6-13(16)7-3-11)18-14-8-4-12(5-9-14)15(17)19/h2-3,6-7,10,12,14,18H,4-5,8-9H2,1H3,(H2,17,19)
InChIKeyBMBWPJVDKTZPFX-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
4-[1-(3-bromo-4-fluorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791702
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
CID 162219929
CID 162219929
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
CID 103242653
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748840
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide (CID 43791667) is 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide is CC(NC1CCC(C(N)=O)CC1)c1ccc(I)cc1.
What is the InChIKey of 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is BMBWPJVDKTZPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-10(11-2-6-13(16)7-3-11)18-14-8-4-12(5-9-14)15(17)19/h2-3,6-7,10,12,14,18H,4-5,8-9H2,1H3,(H2,17,19).
What are the key properties of 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide?
4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 372.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43791667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).