2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide

C12H17ClN2O2 — CID 39358840

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cccc(Cl)c1)C(=O)CN
InChIInChI=1S/C12H17ClN2O2/c1-17-6-5-15(12(16)8-14)9-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9,14H2,1H3
InChIKeyCZTYZEBABONADJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.27
Rot. Bonds6

About 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide

2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 39358840) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
PubChem CID39358840
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cccc(Cl)c1)C(=O)CN
InChIInChI=1S/C12H17ClN2O2/c1-17-6-5-15(12(16)8-14)9-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9,14H2,1H3
InChIKeyCZTYZEBABONADJ-UHFFFAOYSA-N
XLogP1.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39357180
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588
N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 31236222
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
CID 25209338
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286296
3-[(3-chlorophenyl)methyl-(3-methoxypropyl)amino]propanoic acid
CID 82327680
1-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)-1-methylurea
CID 47127829
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598670
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 9015581

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide (CID 39358840) is 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide is COCCN(Cc1cccc(Cl)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is CZTYZEBABONADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-6-5-15(12(16)8-14)9-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9,14H2,1H3.
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39358840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).