3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide

C10H18ClNO — CID 106186051

IUPAC3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H18ClNO/c1-8(2)5-6-12-9(13)10(3,4)7-11/h5H,6-7H2,1-4H3,(H,12,13)
InChIKeyVNIWGKXLSWSORH-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.33
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide

3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide (PubChem CID 106186051) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide
PubChem CID106186051
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H18ClNO/c1-8(2)5-6-12-9(13)10(3,4)7-11/h5H,6-7H2,1-4H3,(H,12,13)
InChIKeyVNIWGKXLSWSORH-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
CID 114615978
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
2,2-diethyl-4-(3-methylbut-2-enylamino)-4-oxobutanoic acid
CID 103517333
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
3-chloro-N-methoxy-2,2-dimethylpropanamide
CID 55298436
3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
CID 82108659
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 66092248
3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115517695
2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide
CID 10800362
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide
CID 18185421

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide (CID 106186051) is 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide is CC(C)=CCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide?
The InChIKey is VNIWGKXLSWSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(2)5-6-12-9(13)10(3,4)7-11/h5H,6-7H2,1-4H3,(H,12,13).
What are the key properties of 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide?
3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide has a molecular weight of 203.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide is sourced from PubChem (CID 106186051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).