N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide

C10H20ClNO2 — CID 106182300

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CCl)COC
InChIInChI=1S/C10H20ClNO2/c1-5-10(2,3)9(13)12-8(6-11)7-14-4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyPFIVQJHYXJGNTR-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.79
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide

N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide (PubChem CID 106182300) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide
PubChem CID106182300
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CCl)COC
InChIInChI=1S/C10H20ClNO2/c1-5-10(2,3)9(13)12-8(6-11)7-14-4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyPFIVQJHYXJGNTR-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
CID 106182256
N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 106183441

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide (CID 106182300) is N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(CCl)COC.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide?
The InChIKey is PFIVQJHYXJGNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-5-10(2,3)9(13)12-8(6-11)7-14-4/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide?
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide has a molecular weight of 221.73 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 106182300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).