3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide

C10H21ClN2O — CID 82945442

IUPAC3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CN(C)C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H21ClN2O/c1-8(6-13(4)5)12-9(14)10(2,3)7-11/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyOPUPBWXCPTWBDP-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.32
Rot. Bonds5

About 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide

3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 82945442) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID82945442
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CN(C)C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H21ClN2O/c1-8(6-13(4)5)12-9(14)10(2,3)7-11/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyOPUPBWXCPTWBDP-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.32
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

2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
3-chloro-2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630190
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
CID 82945253
3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63678646
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
N-[1-(dimethylamino)propan-2-yl]-2,2-difluoroacetamide
CID 103515956
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
N-[1-(dimethylamino)propan-2-yl]-5-hydroxypentanamide
CID 82949799
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide (CID 82945442) is 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide is CC(CN(C)C)NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OPUPBWXCPTWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-8(6-13(4)5)12-9(14)10(2,3)7-11/h8H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 220.74 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82945442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).