N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide

C14H20ClNO2 — CID 167795163

IUPACN-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide
SMILESCOCC(C)(C)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C14H20ClNO2/c1-14(2,11-18-3)16(13(17)9-15)10-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyBUOZOBQQJSKXIU-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.68
Rot. Bonds6

About N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide

N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide (PubChem CID 167795163) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide
PubChem CID167795163
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide
SMILESCOCC(C)(C)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C14H20ClNO2/c1-14(2,11-18-3)16(13(17)9-15)10-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyBUOZOBQQJSKXIU-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-2-chloro-N-[(3R)-3-hydroxy-4-methoxy-2-phenylbutyl]acetamide
CID 67123181
N-benzyl-2-chloro-N-methylsulfonylacetamide
CID 83381162
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
methyl 2-[benzyl-(2-chloroacetyl)amino]-3-chloropropanoate
CID 10063590
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
tert-butyl N-[1-[benzyl-(2-chloroacetyl)amino]propan-2-yl]carbamate
CID 175047776
tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate
CID 139793833
N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
CID 139793857
benzyl(methoxymethyl)carbamic acid
CID 67355531
N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 117060748
tert-butyl (3S,4S)-4-[benzyl-(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate
CID 90236031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide (CID 167795163) is N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide is COCC(C)(C)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide?
The InChIKey is BUOZOBQQJSKXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(2,11-18-3)16(13(17)9-15)10-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide?
N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 167795163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).