3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide

C11H23ClN2O — CID 62727054

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CCN(C)C)C(=O)C(C)CCl
InChIInChI=1S/C11H23ClN2O/c1-5-6-14(8-7-13(3)4)11(15)10(2)9-12/h10H,5-9H2,1-4H3
InChIKeyFHMUKZKDWLUBKU-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.66
Rot. Bonds7

About 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide

3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide (PubChem CID 62727054) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
PubChem CID62727054
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CCN(C)C)C(=O)C(C)CCl
InChIInChI=1S/C11H23ClN2O/c1-5-6-14(8-7-13(3)4)11(15)10(2)9-12/h10H,5-9H2,1-4H3
InChIKeyFHMUKZKDWLUBKU-UHFFFAOYSA-N
XLogP1.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79389720
methyl 2-[(3-chloro-2-methylpropanoyl)-ethylamino]acetate
CID 62728356
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
CID 115612493
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-chloro-N,N-dipropylbutanamide
CID 121204586

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide (CID 62727054) is 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide is CCCN(CCN(C)C)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide?
The InChIKey is FHMUKZKDWLUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O/c1-5-6-14(8-7-13(3)4)11(15)10(2)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide?
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide has a molecular weight of 234.77 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 62727054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).