N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide

C14H25ClN2O2 — CID 108571121

IUPACN-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
SMILESCC(C)(CCl)C(=O)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C14H25ClN2O2/c1-14(2,10-15)13(19)17-9-8-16-12(18)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIBPKZGWRRREMJX-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide

N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide (PubChem CID 108571121) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
PubChem CID108571121
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC NameN-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
SMILESCC(C)(CCl)C(=O)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C14H25ClN2O2/c1-14(2,10-15)13(19)17-9-8-16-12(18)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIBPKZGWRRREMJX-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide
CID 108537602
3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639
4-(cyclooctanecarbonylamino)-2,2-dimethylbutanoic acid
CID 114285462
N-propylcyclooctanecarboxamide
CID 65022755
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 113481378
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide (CID 108571121) is N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide is CC(C)(CCl)C(=O)NCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide?
The InChIKey is IBPKZGWRRREMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2O2/c1-14(2,10-15)13(19)17-9-8-16-12(18)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide?
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide has a molecular weight of 288.82 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 108571121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).