N-(3-chloro-4-methoxybutyl)-2-methylbutanamide

C10H20ClNO2 — CID 106244043

IUPACN-(3-chloro-4-methoxybutyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCC(Cl)COC
InChIInChI=1S/C10H20ClNO2/c1-4-8(2)10(13)12-6-5-9(11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyFFAJXIFDAKHHRI-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.79
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)-2-methylbutanamide

N-(3-chloro-4-methoxybutyl)-2-methylbutanamide (PubChem CID 106244043) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-2-methylbutanamide
PubChem CID106244043
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(3-chloro-4-methoxybutyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCC(Cl)COC
InChIInChI=1S/C10H20ClNO2/c1-4-8(2)10(13)12-6-5-9(11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyFFAJXIFDAKHHRI-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-2-methylsulfonylpropanamide
CID 106243933
N-(2-chloro-3-methoxypropyl)-2-methylpentanamide
CID 114298733
N-(3-chloro-4-methoxybutyl)nonanamide
CID 114163175
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
N-(3-chloro-4-methoxybutyl)-1-methylcyclohexane-1-carboxamide
CID 106244255
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106243577
N-(3-chloro-4-methoxybutyl)-3-ethylthiophene-2-carboxamide
CID 106243561
2-(4-bromophenyl)-N-(3-chloro-4-methoxybutyl)acetamide
CID 114163211

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-2-methylbutanamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-2-methylbutanamide (CID 106244043) is N-(3-chloro-4-methoxybutyl)-2-methylbutanamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-2-methylbutanamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-2-methylbutanamide is CCC(C)C(=O)NCCC(Cl)COC.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-2-methylbutanamide?
The InChIKey is FFAJXIFDAKHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-4-8(2)10(13)12-6-5-9(11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(3-chloro-4-methoxybutyl)-2-methylbutanamide?
N-(3-chloro-4-methoxybutyl)-2-methylbutanamide has a molecular weight of 221.73 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-2-methylbutanamide is sourced from PubChem (CID 106244043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).