2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide

C16H22Cl2N2O2 — CID 120789290

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H22Cl2N2O2/c1-2-20(10-11-3-4-13(17)14(18)9-11)16(21)15(19)12-5-7-22-8-6-12/h3-4,9,12,15H,2,5-8,10,19H2,1H3
InChIKeySDHVSGJCBJMKQB-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.10
Rot. Bonds5

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide (PubChem CID 120789290) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
PubChem CID120789290
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H22Cl2N2O2/c1-2-20(10-11-3-4-13(17)14(18)9-11)16(21)15(19)12-5-7-22-8-6-12/h3-4,9,12,15H,2,5-8,10,19H2,1H3
InChIKeySDHVSGJCBJMKQB-UHFFFAOYSA-N
XLogP3.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783873
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791703
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792183
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
2-amino-N-(2-ethoxyethyl)-N-ethyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790311
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
CID 75470667
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847
(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624877

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide (CID 120789290) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide?
The InChIKey is SDHVSGJCBJMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-2-20(10-11-3-4-13(17)14(18)9-11)16(21)15(19)12-5-7-22-8-6-12/h3-4,9,12,15H,2,5-8,10,19H2,1H3.
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide?
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide has a molecular weight of 345.27 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120789290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).