3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide

C20H30N2O3 — CID 113117359

IUPAC3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)CC1CCCO1
InChIInChI=1S/C20H30N2O3/c1-15(23)22(14-16-8-7-13-25-16)12-11-19(24)21-18-10-6-5-9-17(18)20(2,3)4/h5-6,9-10,16H,7-8,11-14H2,1-4H3,(H,21,24)
InChIKeyHCAYJMVYBDQORB-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.34
Rot. Bonds6

About 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide

3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide (PubChem CID 113117359) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
PubChem CID113117359
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)CC1CCCO1
InChIInChI=1S/C20H30N2O3/c1-15(23)22(14-16-8-7-13-25-16)12-11-19(24)21-18-10-6-5-9-17(18)20(2,3)4/h5-6,9-10,16H,7-8,11-14H2,1-4H3,(H,21,24)
InChIKeyHCAYJMVYBDQORB-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113117440
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113117399
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113117423
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
CID 113053410
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113117299
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide (CID 113117359) is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)CC1CCCO1.
What is the InChIKey of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide?
The InChIKey is HCAYJMVYBDQORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(23)22(14-16-8-7-13-25-16)12-11-19(24)21-18-10-6-5-9-17(18)20(2,3)4/h5-6,9-10,16H,7-8,11-14H2,1-4H3,(H,21,24).
What are the key properties of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide?
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 113117359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).