2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide

C11H19ClN4O3 — CID 11779004

IUPAC2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide
SMILESNCC(=O)N(C(=O)N(CCCl)N=O)C1CCCCC1
InChIInChI=1S/C11H19ClN4O3/c12-6-7-15(14-19)11(18)16(10(17)8-13)9-4-2-1-3-5-9/h9H,1-8,13H2
InChIKeyNFKNKSKDFZWCJP-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide

2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide (PubChem CID 11779004) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide
PubChem CID11779004
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide
SMILESNCC(=O)N(C(=O)N(CCCl)N=O)C1CCCCC1
InChIInChI=1S/C11H19ClN4O3/c12-6-7-15(14-19)11(18)16(10(17)8-13)9-4-2-1-3-5-9/h9H,1-8,13H2
InChIKeyNFKNKSKDFZWCJP-UHFFFAOYSA-N
XLogP1.45
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
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N-cyclohexyl-N-[cyclohexyl-[2-(methylamino)acetyl]carbamoyl]-2-(methylamino)acetamide
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CID 23277591
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N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
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CID 89181027

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide?
The IUPAC name of 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide (CID 11779004) is 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide is NCC(=O)N(C(=O)N(CCCl)N=O)C1CCCCC1.
What is the InChIKey of 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide?
The InChIKey is NFKNKSKDFZWCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O3/c12-6-7-15(14-19)11(18)16(10(17)8-13)9-4-2-1-3-5-9/h9H,1-8,13H2.
What are the key properties of 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide?
2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide has a molecular weight of 290.75 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide is sourced from PubChem (CID 11779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).