N-tert-butyl-2-chloro-4-methylpentanamide

C10H20ClNO — CID 62224969

IUPACN-tert-butyl-2-chloro-4-methylpentanamide
SMILESCC(C)CC(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20ClNO/c1-7(2)6-8(11)9(13)12-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyQBEXRPCMWKVECB-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.55
Rot. Bonds3

About N-tert-butyl-2-chloro-4-methylpentanamide

N-tert-butyl-2-chloro-4-methylpentanamide (PubChem CID 62224969) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-4-methylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-4-methylpentanamide
PubChem CID62224969
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-tert-butyl-2-chloro-4-methylpentanamide
SMILESCC(C)CC(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20ClNO/c1-7(2)6-8(11)9(13)12-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyQBEXRPCMWKVECB-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.55
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-4-methylpentanamide?
The IUPAC name of N-tert-butyl-2-chloro-4-methylpentanamide (CID 62224969) is N-tert-butyl-2-chloro-4-methylpentanamide.
What is the SMILES notation for N-tert-butyl-2-chloro-4-methylpentanamide?
The canonical SMILES for N-tert-butyl-2-chloro-4-methylpentanamide is CC(C)CC(Cl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-4-methylpentanamide?
The InChIKey is QBEXRPCMWKVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-7(2)6-8(11)9(13)12-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of N-tert-butyl-2-chloro-4-methylpentanamide?
N-tert-butyl-2-chloro-4-methylpentanamide has a molecular weight of 205.73 g/mol, XLogP of 2.55, 3 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-4-methylpentanamide is sourced from PubChem (CID 62224969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).