2-chloro-N-ethyl-4,4-dimethylpentanamide

C9H18ClNO — CID 62966359

IUPAC2-chloro-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(Cl)CC(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-5-11-8(12)7(10)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyDTBIGOXOHNKGOP-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.17
Rot. Bonds3

About 2-chloro-N-ethyl-4,4-dimethylpentanamide

2-chloro-N-ethyl-4,4-dimethylpentanamide (PubChem CID 62966359) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4,4-dimethylpentanamide
PubChem CID62966359
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(Cl)CC(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-5-11-8(12)7(10)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyDTBIGOXOHNKGOP-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
2-chloro-N-cyclopentyl-4,4-dimethylpentanamide
CID 62966363
[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-λ2-stannane
CID 174942206
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
CID 70910476
3-chloro-1,4-bis(ethylamino)-1,4-dioxobutan-2-olate
CID 59669253
2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
CID 166866622
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide
CID 106676366
2-amino-N,N'-diethylpropanediamide
CID 88901749
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 107472677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4,4-dimethylpentanamide?
The IUPAC name of 2-chloro-N-ethyl-4,4-dimethylpentanamide (CID 62966359) is 2-chloro-N-ethyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-chloro-N-ethyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-chloro-N-ethyl-4,4-dimethylpentanamide is CCNC(=O)C(Cl)CC(C)(C)C.
What is the InChIKey of 2-chloro-N-ethyl-4,4-dimethylpentanamide?
The InChIKey is DTBIGOXOHNKGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-5-11-8(12)7(10)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-chloro-N-ethyl-4,4-dimethylpentanamide?
2-chloro-N-ethyl-4,4-dimethylpentanamide has a molecular weight of 191.70 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4,4-dimethylpentanamide is sourced from PubChem (CID 62966359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).