N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide

C21H25ClN2O2 — CID 108965837

IUPACN-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NCCCc2ccccc2)cc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-15-11-12-17(14-18(15)22)24-20(26)21(2,3)19(25)23-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHDPQGFYZNPSKOS-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.36
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide

N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide (PubChem CID 108965837) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
PubChem CID108965837
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NCCCc2ccccc2)cc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-15-11-12-17(14-18(15)22)24-20(26)21(2,3)19(25)23-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHDPQGFYZNPSKOS-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965816
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962953
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963914
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide (CID 108965837) is N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)NCCCc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The InChIKey is HDPQGFYZNPSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-11-12-17(14-18(15)22)24-20(26)21(2,3)19(25)23-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide has a molecular weight of 372.90 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108965837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).