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

C9H16ClNO — CID 114615978

IUPAC3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(C)(C)CCl
InChIInChI=1S/C9H16ClNO/c1-7(2)5-11-8(12)9(3,4)6-10/h1,5-6H2,2-4H3,(H,11,12)
InChIKeyDLBZWCXZOBAWPI-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.94
Rot. Bonds4

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

3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 114615978) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID114615978
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(C)(C)CCl
InChIInChI=1S/C9H16ClNO/c1-7(2)5-11-8(12)9(3,4)6-10/h1,5-6H2,2-4H3,(H,11,12)
InChIKeyDLBZWCXZOBAWPI-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.94
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

2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
2-amino-2-ethyl-N-(2-methylprop-2-enyl)butanamide
CID 114617063
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159
3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide
CID 106186051
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-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
2-methylprop-2-enylurea
CID 22226516
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide (CID 114615978) is 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is DLBZWCXZOBAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-7(2)5-11-8(12)9(3,4)6-10/h1,5-6H2,2-4H3,(H,11,12).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide?
3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 189.69 g/mol, XLogP of 1.94, 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-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 114615978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).