3-chloro-2,2-dimethyl-N,N-dipropylpropanamide

C11H22ClNO — CID 63680887

IUPAC3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-5-7-13(8-6-2)10(14)11(3,4)9-12/h5-9H2,1-4H3
InChIKeyQGIRKUOCAUNJFJ-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.90
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide

3-chloro-2,2-dimethyl-N,N-dipropylpropanamide (PubChem CID 63680887) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
PubChem CID63680887
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-5-7-13(8-6-2)10(14)11(3,4)9-12/h5-9H2,1-4H3
InChIKeyQGIRKUOCAUNJFJ-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
CID 103101636
3-chloro-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 4114305
methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate
CID 63665289
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
CID 79389813
3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
CID 63966651
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-propylpropanamide
CID 3398275
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
2-amino-3,3,3-trifluoro-2-methyl-N,N-dipropylpropanamide
CID 79791210
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide (CID 63680887) is 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide?
The InChIKey is QGIRKUOCAUNJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-5-7-13(8-6-2)10(14)11(3,4)9-12/h5-9H2,1-4H3.
What are the key properties of 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide?
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide has a molecular weight of 219.76 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N,N-dipropylpropanamide is sourced from PubChem (CID 63680887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).