3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide

C19H29ClN2O3 — CID 59224576

IUPAC3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide
SMILESCCN(CC)CCN(CC=O)C(=O)CCOCCc1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O3/c1-3-21(4-2)10-11-22(12-13-23)19(24)9-15-25-14-8-17-6-5-7-18(20)16-17/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3
InChIKeyZQCLGAITVGLEKS-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.66
Rot. Bonds13

About 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide

3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide (PubChem CID 59224576) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide
PubChem CID59224576
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide
SMILESCCN(CC)CCN(CC=O)C(=O)CCOCCc1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O3/c1-3-21(4-2)10-11-22(12-13-23)19(24)9-15-25-14-8-17-6-5-7-18(20)16-17/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3
InChIKeyZQCLGAITVGLEKS-UHFFFAOYSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]propanamide
CID 25156162
3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]propanamide;furan-2-carboxylic acid
CID 25157885
3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
N-[2-(diethylamino)ethyl]-N-(2-hydroxyethyl)-3-(2-naphthalen-1-ylethoxy)propanamide
CID 66933701
N-[2-(diethylamino)ethyl]-N-(2-hydroxyethyl)-3-(2-naphthalen-1-ylethoxy)propanamide;oxalyl dichloride
CID 87673764
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
2-[3-[2-(4-chlorophenyl)ethoxy]propanoyl-[2-(diethylamino)ethyl]amino]ethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)-3-phenylpropyl]carbamic acid
CID 68717728
N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
CID 65125563
2-[2-(3-chlorophenyl)ethoxy]ethanamine
CID 94766900
2-(3-chlorophenyl)ethyl pentanoate
CID 141256814
3-[2-(3-chlorophenyl)ethoxy]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 90655866
2-[2-(diethylamino)ethyl-[3-[2-(3-methylphenyl)ethoxy]propanoyl]amino]ethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)-3-phenylpropyl]carbamic acid
CID 68715452

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide (CID 59224576) is 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide is CCN(CC)CCN(CC=O)C(=O)CCOCCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide?
The InChIKey is ZQCLGAITVGLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-3-21(4-2)10-11-22(12-13-23)19(24)9-15-25-14-8-17-6-5-7-18(20)16-17/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3.
What are the key properties of 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide?
3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide has a molecular weight of 368.91 g/mol, XLogP of 2.66, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-(2-oxoethyl)propanamide is sourced from PubChem (CID 59224576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).