N-tert-butyl-2-chloro-3-ethylpentanamide

C11H22ClNO — CID 62224069

IUPACN-tert-butyl-2-chloro-3-ethylpentanamide
SMILESCCC(CC)C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-6-8(7-2)9(12)10(14)13-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyIESBXNQHSZUPDN-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.94
Rot. Bonds4

About N-tert-butyl-2-chloro-3-ethylpentanamide

N-tert-butyl-2-chloro-3-ethylpentanamide (PubChem CID 62224069) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-3-ethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-3-ethylpentanamide
PubChem CID62224069
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-tert-butyl-2-chloro-3-ethylpentanamide
SMILESCCC(CC)C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-6-8(7-2)9(12)10(14)13-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyIESBXNQHSZUPDN-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-3-ethylpentanamide?
The IUPAC name of N-tert-butyl-2-chloro-3-ethylpentanamide (CID 62224069) is N-tert-butyl-2-chloro-3-ethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-chloro-3-ethylpentanamide?
The canonical SMILES for N-tert-butyl-2-chloro-3-ethylpentanamide is CCC(CC)C(Cl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-3-ethylpentanamide?
The InChIKey is IESBXNQHSZUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-6-8(7-2)9(12)10(14)13-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of N-tert-butyl-2-chloro-3-ethylpentanamide?
N-tert-butyl-2-chloro-3-ethylpentanamide has a molecular weight of 219.76 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-3-ethylpentanamide is sourced from PubChem (CID 62224069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).