N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide

C8H15ClN2O2 — CID 61251740

IUPACN-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-6(2)8(13)11-4-3-10-7(12)5-9/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyIVWFITKKLHRQRU-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.11
Rot. Bonds5

About N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide

N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide (PubChem CID 61251740) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
PubChem CID61251740
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-6(2)8(13)11-4-3-10-7(12)5-9/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyIVWFITKKLHRQRU-UHFFFAOYSA-N
XLogP0.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 78972996
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
(2S)-5-[(2-bromoacetyl)amino]-N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpentanamide
CID 118136977
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
CID 71941856
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide (CID 61251740) is N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)CCl.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is IVWFITKKLHRQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-6(2)8(13)11-4-3-10-7(12)5-9/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide?
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 206.67 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 61251740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).