2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide

C14H20ClNO3 — CID 3554699

IUPAC2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CCl)cc1OCC
InChIInChI=1S/C14H20ClNO3/c1-4-18-12-7-6-11(8-13(12)19-5-2)10(3)16-14(17)9-15/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyVIIOLUSYMWLHOV-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.90
Rot. Bonds7

About 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide

2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 3554699) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID3554699
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CCl)cc1OCC
InChIInChI=1S/C14H20ClNO3/c1-4-18-12-7-6-11(8-13(12)19-5-2)10(3)16-14(17)9-15/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyVIIOLUSYMWLHOV-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55787245
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
CID 138015146
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide (CID 3554699) is 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc(C(C)NC(=O)CCl)cc1OCC.
What is the InChIKey of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is VIIOLUSYMWLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-18-12-7-6-11(8-13(12)19-5-2)10(3)16-14(17)9-15/h6-8,10H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 285.77 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 3554699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).