N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide

C16H22ClNO2 — CID 103558164

IUPACN-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCCl)Cc2ccccc2)CCC1
InChIInChI=1S/C16H22ClNO2/c1-20-16(8-5-9-16)12-15(19)18(11-10-17)13-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyUWLPLDGRBAVTDA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.21
Rot. Bonds7

About N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide

N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103558164) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103558164
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCCl)Cc2ccccc2)CCC1
InChIInChI=1S/C16H22ClNO2/c1-20-16(8-5-9-16)12-15(19)18(11-10-17)13-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyUWLPLDGRBAVTDA-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.21
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
N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
CID 112603928
2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
CID 79851579
N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103520091
N-ethyl-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520103
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
CID 103555309
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide
CID 10004169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide (CID 103558164) is N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)N(CCCl)Cc2ccccc2)CCC1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is UWLPLDGRBAVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-20-16(8-5-9-16)12-15(19)18(11-10-17)13-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide?
N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.21, 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-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103558164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).