N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

C19H31N3O2 — CID 108960266

IUPACN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C19H31N3O2/c1-13(2)15-10-8-9-14(3)16(15)21-18(24)19(4,5)17(23)20-11-12-22(6)7/h8-10,13H,11-12H2,1-7H3,(H,20,23)(H,21,24)
InChIKeyCSMIMKFGGHFOJA-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108960266) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108960266
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C19H31N3O2/c1-13(2)15-10-8-9-14(3)16(15)21-18(24)19(4,5)17(23)20-11-12-22(6)7/h8-10,13H,11-12H2,1-7H3,(H,20,23)(H,21,24)
InChIKeyCSMIMKFGGHFOJA-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.76
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

2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968591
N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968602
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108960266) is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is Cc1cccc(C(C)C)c1NC(=O)C(C)(C)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is CSMIMKFGGHFOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)15-10-8-9-14(3)16(15)21-18(24)19(4,5)17(23)20-11-12-22(6)7/h8-10,13H,11-12H2,1-7H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 333.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108960266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).