N-(2-chloro-4,4-dimethylpentyl)heptanamide

C14H28ClNO — CID 107156793

IUPACN-(2-chloro-4,4-dimethylpentyl)heptanamide
SMILESCCCCCCC(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C14H28ClNO/c1-5-6-7-8-9-13(17)16-11-12(15)10-14(2,3)4/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyUMCODGPSTILCHA-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.12
Rot. Bonds8

About N-(2-chloro-4,4-dimethylpentyl)heptanamide

N-(2-chloro-4,4-dimethylpentyl)heptanamide (PubChem CID 107156793) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)heptanamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)heptanamide
PubChem CID107156793
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)heptanamide
SMILESCCCCCCC(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C14H28ClNO/c1-5-6-7-8-9-13(17)16-11-12(15)10-14(2,3)4/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyUMCODGPSTILCHA-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886
methyl 2-chloro-3-(decanoylamino)propanoate
CID 103492807
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
N-(2-chloro-2-cyclopropylethyl)decanamide
CID 113273435
N-(2-chloro-4,4-dimethylpentyl)dodecan-1-amine
CID 107155628
N-(2-aminopropyl)octadecanamide
CID 86003506
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)heptanamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)heptanamide (CID 107156793) is N-(2-chloro-4,4-dimethylpentyl)heptanamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)heptanamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)heptanamide is CCCCCCC(=O)NCC(Cl)CC(C)(C)C.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)heptanamide?
The InChIKey is UMCODGPSTILCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-5-6-7-8-9-13(17)16-11-12(15)10-14(2,3)4/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)heptanamide?
N-(2-chloro-4,4-dimethylpentyl)heptanamide has a molecular weight of 261.84 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)heptanamide is sourced from PubChem (CID 107156793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).