2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide

C19H28N2O3 — CID 108960081

IUPAC2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccccc1NC(=O)C(C)(C)C(=O)NCC1CCCO1
InChIInChI=1S/C19H28N2O3/c1-13(2)15-9-5-6-10-16(15)21-18(23)19(3,4)17(22)20-12-14-8-7-11-24-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPAYQZEOZWQQKDE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.07
Rot. Bonds6

About 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide

2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108960081) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108960081
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccccc1NC(=O)C(C)(C)C(=O)NCC1CCCO1
InChIInChI=1S/C19H28N2O3/c1-13(2)15-9-5-6-10-16(15)21-18(23)19(3,4)17(22)20-12-14-8-7-11-24-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPAYQZEOZWQQKDE-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.07
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-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960126
methyl 4-[[2,2-dimethyl-3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108960123
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzamide
CID 30393276
2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46639681
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960159
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide (CID 108960081) is 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide is CC(C)c1ccccc1NC(=O)C(C)(C)C(=O)NCC1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is PAYQZEOZWQQKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)15-9-5-6-10-16(15)21-18(23)19(3,4)17(22)20-12-14-8-7-11-24-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide?
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 332.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108960081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).