N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide

C14H20ClNO2 — CID 112603928

IUPACN-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H20ClNO2/c1-12(2)18-11-14(17)16(9-8-15)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyURRAKVGKURQBKZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.68
Rot. Bonds7

About N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide

N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide (PubChem CID 112603928) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
PubChem CID112603928
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H20ClNO2/c1-12(2)18-11-14(17)16(9-8-15)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyURRAKVGKURQBKZ-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.68
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-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558164
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
N-benzyl-N-butylpropanamide
CID 12502571
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
[3-(propan-2-yloxycarbonylamino)phenyl] N-benzyl-N-(2-chloroethyl)carbamate
CID 54062729

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide (CID 112603928) is N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide?
The InChIKey is URRAKVGKURQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-12(2)18-11-14(17)16(9-8-15)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide?
N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide has a molecular weight of 269.77 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).