2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide

C16H24ClNO3 — CID 82960088

IUPAC2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
SMILESCCOCCN(CCOCC)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H24ClNO3/c1-3-20-12-10-18(11-13-21-4-2)16(19)15(17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyNRCBRUGYEBJDAW-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.87
Rot. Bonds10

About 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide

2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide (PubChem CID 82960088) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
PubChem CID82960088
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
SMILESCCOCCN(CCOCC)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H24ClNO3/c1-3-20-12-10-18(11-13-21-4-2)16(19)15(17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyNRCBRUGYEBJDAW-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 60949486
methyl 2-[[(2-chloro-2-phenylacetyl)-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4575202
4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
CID 63691274
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide (CID 82960088) is 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide is CCOCCN(CCOCC)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide?
The InChIKey is NRCBRUGYEBJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-3-20-12-10-18(11-13-21-4-2)16(19)15(17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide?
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide has a molecular weight of 313.83 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 82960088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).