N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide

C15H21IN2O — CID 54812377

IUPACN-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
SMILESCN(C(=O)CNc1ccc(I)cc1)C1CCCCC1
InChIInChI=1S/C15H21IN2O/c1-18(14-5-3-2-4-6-14)15(19)11-17-13-9-7-12(16)8-10-13/h7-10,14,17H,2-6,11H2,1H3
InChIKeyKOIBEGUZCJYXRO-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.49
Rot. Bonds4

About N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide

N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide (PubChem CID 54812377) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
PubChem CID54812377
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC NameN-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
SMILESCN(C(=O)CNc1ccc(I)cc1)C1CCCCC1
InChIInChI=1S/C15H21IN2O/c1-18(14-5-3-2-4-6-14)15(19)11-17-13-9-7-12(16)8-10-13/h7-10,14,17H,2-6,11H2,1H3
InChIKeyKOIBEGUZCJYXRO-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840118
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
CID 54821088
N-cyclohexyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 86911687
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839417
N-cyclohexyl-N-methyl-2-(3-propoxyanilino)acetamide
CID 54825123
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide (CID 54812377) is N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide is CN(C(=O)CNc1ccc(I)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide?
The InChIKey is KOIBEGUZCJYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-18(14-5-3-2-4-6-14)15(19)11-17-13-9-7-12(16)8-10-13/h7-10,14,17H,2-6,11H2,1H3.
What are the key properties of N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide?
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide has a molecular weight of 372.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide is sourced from PubChem (CID 54812377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).