N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide

C20H23ClN2O3 — CID 108968333

IUPACN-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-5-23(15-9-7-6-8-10-15)19(25)20(2,3)18(24)22-14-11-12-17(26-4)16(21)13-14/h6-13H,5H2,1-4H3,(H,22,24)
InChIKeyOWKMQNPNWTWDAD-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.37
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide

N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide (PubChem CID 108968333) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
PubChem CID108968333
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-5-23(15-9-7-6-8-10-15)19(25)20(2,3)18(24)22-14-11-12-17(26-4)16(21)13-14/h6-13H,5H2,1-4H3,(H,22,24)
InChIKeyOWKMQNPNWTWDAD-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958078
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961265
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide (CID 108968333) is N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide?
The InChIKey is OWKMQNPNWTWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-5-23(15-9-7-6-8-10-15)19(25)20(2,3)18(24)22-14-11-12-17(26-4)16(21)13-14/h6-13H,5H2,1-4H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide?
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide has a molecular weight of 374.87 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108968333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).