N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide

C16H24ClN3O2 — CID 108960274

IUPACN-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C16H24ClN3O2/c1-11-12(17)7-6-8-13(11)19-15(22)16(2,3)14(21)18-9-10-20(4)5/h6-8H,9-10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyLFSRHUURTPNFID-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.29
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide

N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108960274) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
PubChem CID108960274
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C16H24ClN3O2/c1-11-12(17)7-6-8-13(11)19-15(22)16(2,3)14(21)18-9-10-20(4)5/h6-8H,9-10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyLFSRHUURTPNFID-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 8668575
4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147112
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
methyl 4-chloro-3-[[3-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960305
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073
1-N'-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973822
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960255

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide (CID 108960274) is N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide is Cc1c(Cl)cccc1NC(=O)C(C)(C)C(=O)NCCN(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is LFSRHUURTPNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11-12(17)7-6-8-13(11)19-15(22)16(2,3)14(21)18-9-10-20(4)5/h6-8H,9-10H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 325.84 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108960274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).