N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

C20H24ClN3O2 — CID 108964558

IUPACN-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C20H24ClN3O2/c1-14-13-16(21)5-6-17(14)23-18(25)20(2,3)19(26)24(4)12-9-15-7-10-22-11-8-15/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,25)
InChIKeyUWTTVRRPBXRLAZ-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.71
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108964558) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108964558
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C20H24ClN3O2/c1-14-13-16(21)5-6-17(14)23-18(25)20(2,3)19(26)24(4)12-9-15-7-10-22-11-8-15/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,25)
InChIKeyUWTTVRRPBXRLAZ-UHFFFAOYSA-N
XLogP3.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.71
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

N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964579
N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
2-N-(5-chloro-2-methylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138113
N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962321
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963414

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108964558) is N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is Cc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is UWTTVRRPBXRLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-13-16(21)5-6-17(14)23-18(25)20(2,3)19(26)24(4)12-9-15-7-10-22-11-8-15/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 373.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108964558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).