N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide

C9H17Cl2NO — CID 79019595

IUPACN,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCCl)CCCl
InChIInChI=1S/C9H17Cl2NO/c1-9(2,3)8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKeyVBHOSNKZIIHPPT-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.34
Rot. Bonds4

About N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide

N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide (PubChem CID 79019595) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
PubChem CID79019595
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC NameN,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCCl)CCCl
InChIInChI=1S/C9H17Cl2NO/c1-9(2,3)8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKeyVBHOSNKZIIHPPT-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 63394338
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
CID 63680887
CID 23529688
CID 23529688
3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
CID 82323720
3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
CID 82323749
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
N,N-bis(2-chloroethyl)-2-ethylbutanamide
CID 79018634
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492479

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide?
The IUPAC name of N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide (CID 79019595) is N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CCCl)CCCl.
What is the InChIKey of N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide?
The InChIKey is VBHOSNKZIIHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-9(2,3)8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3.
What are the key properties of N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide?
N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide has a molecular weight of 226.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 79019595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).