N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide

C21H27N3O2 — CID 108964542

IUPACN-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)N(C)CCc1ccncc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-24(18-9-7-6-8-10-18)20(26)21(2,3)19(25)23(4)16-13-17-11-14-22-15-12-17/h6-12,14-15H,5,13,16H2,1-4H3
InChIKeyAOISHBBTTFLBDQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.16
Rot. Bonds7

About N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108964542) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108964542
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)N(C)CCc1ccncc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-24(18-9-7-6-8-10-18)20(26)21(2,3)19(25)23(4)16-13-17-11-14-22-15-12-17/h6-12,14-15H,5,13,16H2,1-4H3
InChIKeyAOISHBBTTFLBDQ-UHFFFAOYSA-N
XLogP3.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 109331197
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108964542) is N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)N(C)CCc1ccncc1)c1ccccc1.
What is the InChIKey of N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is AOISHBBTTFLBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(18-9-7-6-8-10-18)20(26)21(2,3)19(25)23(4)16-13-17-11-14-22-15-12-17/h6-12,14-15H,5,13,16H2,1-4H3.
What are the key properties of N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 353.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108964542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).