3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide

C18H26N2O3 — CID 113118732

IUPAC3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC1CCCO1)Cc1ccc(C)cc1
InChIInChI=1S/C18H26N2O3/c1-14-5-7-16(8-6-14)13-20(15(2)21)10-9-18(22)19-12-17-4-3-11-23-17/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyKDGDMODEMUZPMP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.03
Rot. Bonds7

About 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113118732) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113118732
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC1CCCO1)Cc1ccc(C)cc1
InChIInChI=1S/C18H26N2O3/c1-14-5-7-16(8-6-14)13-20(15(2)21)10-9-18(22)19-12-17-4-3-11-23-17/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyKDGDMODEMUZPMP-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113117997
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113115526
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide (CID 113118732) is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCC1CCCO1)Cc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KDGDMODEMUZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-5-7-16(8-6-14)13-20(15(2)21)10-9-18(22)19-12-17-4-3-11-23-17/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide?
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113118732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).