N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide

C10H20ClNO2 — CID 63397957

IUPACN-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide
SMILESCOCC(Cl)CN(C)C(=O)CC(C)C
InChIInChI=1S/C10H20ClNO2/c1-8(2)5-10(13)12(3)6-9(11)7-14-4/h8-9H,5-7H2,1-4H3
InChIKeyFSAMSCLAHXFDEZ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.74
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide

N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide (PubChem CID 63397957) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide
PubChem CID63397957
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide
SMILESCOCC(Cl)CN(C)C(=O)CC(C)C
InChIInChI=1S/C10H20ClNO2/c1-8(2)5-10(13)12(3)6-9(11)7-14-4/h8-9H,5-7H2,1-4H3
InChIKeyFSAMSCLAHXFDEZ-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide (CID 63397957) is N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide is COCC(Cl)CN(C)C(=O)CC(C)C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide?
The InChIKey is FSAMSCLAHXFDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-8(2)5-10(13)12(3)6-9(11)7-14-4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide?
N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide has a molecular weight of 221.73 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 63397957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).