N-(2-chloroethyl)-2-methyl-N-propylbutanamide

C10H20ClNO — CID 63393003

IUPACN-(2-chloroethyl)-2-methyl-N-propylbutanamide
SMILESCCCN(CCCl)C(=O)C(C)CC
InChIInChI=1S/C10H20ClNO/c1-4-7-12(8-6-11)10(13)9(3)5-2/h9H,4-8H2,1-3H3
InChIKeyYJJVMJTUUJAUDT-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.51
Rot. Bonds6

About N-(2-chloroethyl)-2-methyl-N-propylbutanamide

N-(2-chloroethyl)-2-methyl-N-propylbutanamide (PubChem CID 63393003) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methyl-N-propylbutanamide
PubChem CID63393003
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(2-chloroethyl)-2-methyl-N-propylbutanamide
SMILESCCCN(CCCl)C(=O)C(C)CC
InChIInChI=1S/C10H20ClNO/c1-4-7-12(8-6-11)10(13)9(3)5-2/h9H,4-8H2,1-3H3
InChIKeyYJJVMJTUUJAUDT-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.51
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

N,N-bis(2-chloroethyl)-2-ethylbutanamide
CID 79018634
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-methyl-N,N-bis(2-propoxyethyl)butanamide
CID 59687724
2-chloro-N,N-dipropylbutanamide
CID 121204586
N,2-dimethyl-N-propylbutanamide
CID 89368936
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
N-(2-chloroethyl)-N-ethyl-2-methylpropanamide
CID 63395001
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
N,N-bis(2-chloroethyl)-2-methylsulfonylpropanamide
CID 104520204
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methyl-N-propylbutanamide?
The IUPAC name of N-(2-chloroethyl)-2-methyl-N-propylbutanamide (CID 63393003) is N-(2-chloroethyl)-2-methyl-N-propylbutanamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methyl-N-propylbutanamide?
The canonical SMILES for N-(2-chloroethyl)-2-methyl-N-propylbutanamide is CCCN(CCCl)C(=O)C(C)CC.
What is the InChIKey of N-(2-chloroethyl)-2-methyl-N-propylbutanamide?
The InChIKey is YJJVMJTUUJAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-7-12(8-6-11)10(13)9(3)5-2/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-2-methyl-N-propylbutanamide?
N-(2-chloroethyl)-2-methyl-N-propylbutanamide has a molecular weight of 205.73 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methyl-N-propylbutanamide is sourced from PubChem (CID 63393003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).