N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide

C24H36IN3O2 — CID 155771405

IUPACN-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide
SMILESNCCCC(C(=O)NC1CCCCC1)N(C(=O)c1ccccc1I)C1CCCCC1
InChIInChI=1S/C24H36IN3O2/c25-21-15-8-7-14-20(21)24(30)28(19-12-5-2-6-13-19)22(16-9-17-26)23(29)27-18-10-3-1-4-11-18/h7-8,14-15,18-19,22H,1-6,9-13,16-17,26H2,(H,27,29)
InChIKeyIWLQKMQCEGEINI-UHFFFAOYSA-N
MW525.48 g/mol
LogP4.62
Rot. Bonds8

About N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide

N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide (PubChem CID 155771405) has the molecular formula C24H36IN3O2 and a molecular weight of 525.48 g/mol. Its IUPAC name is N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide.

Molecular Properties

Compound NameN-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide
PubChem CID155771405
Molecular FormulaC24H36IN3O2
Molecular Weight525.48 g/mol
Exact Mass525.19
IUPAC NameN-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide
SMILESNCCCC(C(=O)NC1CCCCC1)N(C(=O)c1ccccc1I)C1CCCCC1
InChIInChI=1S/C24H36IN3O2/c25-21-15-8-7-14-20(21)24(30)28(19-12-5-2-6-13-19)22(16-9-17-26)23(29)27-18-10-3-1-4-11-18/h7-8,14-15,18-19,22H,1-6,9-13,16-17,26H2,(H,27,29)
InChIKeyIWLQKMQCEGEINI-UHFFFAOYSA-N
XLogP4.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
CID 145207901
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-iodobenzoate
CID 71823696
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373
N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
CID 90498837
5-amino-N-cycloheptyl-2-ethylpentanamide
CID 112515741
N-benzyl-N-[(E)-3-(cyclohexylamino)-1-(2,4-difluorophenyl)-1-hydroxy-3-oxoprop-1-en-2-yl]-2-iodobenzamide
CID 54739999
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-cyclohexyl-2-(2-iodoanilino)propanamide
CID 43083874

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide?
The IUPAC name of N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide (CID 155771405) is N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide.
What is the SMILES notation for N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide?
The canonical SMILES for N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide is NCCCC(C(=O)NC1CCCCC1)N(C(=O)c1ccccc1I)C1CCCCC1.
What is the InChIKey of N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide?
The InChIKey is IWLQKMQCEGEINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36IN3O2/c25-21-15-8-7-14-20(21)24(30)28(19-12-5-2-6-13-19)22(16-9-17-26)23(29)27-18-10-3-1-4-11-18/h7-8,14-15,18-19,22H,1-6,9-13,16-17,26H2,(H,27,29).
What are the key properties of N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide?
N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide has a molecular weight of 525.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide is sourced from PubChem (CID 155771405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).