N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide

C14H20ClNO4 — CID 177312801

IUPACN-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide
SMILESCCOC(CC(=O)Nc1cccc(OC)c1Cl)OCC
InChIInChI=1S/C14H20ClNO4/c1-4-19-13(20-5-2)9-12(17)16-10-7-6-8-11(18-3)14(10)15/h6-8,13H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyBGZMSRKFTURCLY-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.08
Rot. Bonds8

About N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide

N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide (PubChem CID 177312801) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide
PubChem CID177312801
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC NameN-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide
SMILESCCOC(CC(=O)Nc1cccc(OC)c1Cl)OCC
InChIInChI=1S/C14H20ClNO4/c1-4-19-13(20-5-2)9-12(17)16-10-7-6-8-11(18-3)14(10)15/h6-8,13H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyBGZMSRKFTURCLY-UHFFFAOYSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
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1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide
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N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
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1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
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methyl 2-chloro-3-methoxybenzoate
CID 10262208
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
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N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
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(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
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(2-chloro-3-methoxyphenyl)hydrazine
CID 55279631

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide?
The IUPAC name of N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide (CID 177312801) is N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide.
What is the SMILES notation for N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide?
The canonical SMILES for N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide is CCOC(CC(=O)Nc1cccc(OC)c1Cl)OCC.
What is the InChIKey of N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide?
The InChIKey is BGZMSRKFTURCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-4-19-13(20-5-2)9-12(17)16-10-7-6-8-11(18-3)14(10)15/h6-8,13H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide?
N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide has a molecular weight of 301.77 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxyphenyl)-3,3-diethoxypropanamide is sourced from PubChem (CID 177312801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).