2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide

C17H26N2O2 — CID 47010669

IUPAC2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N(C)C(C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(15-8-5-4-6-9-15)19(3)14(2)17(20)18-12-16-10-7-11-21-16/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3,(H,18,20)
InChIKeyCMOBUNXQRONCPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide

2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 47010669) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID47010669
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N(C)C(C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(15-8-5-4-6-9-15)19(3)14(2)17(20)18-12-16-10-7-11-21-16/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3,(H,18,20)
InChIKeyCMOBUNXQRONCPE-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 47010669) is 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N(C)C(C)c1ccccc1.
What is the InChIKey of 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is CMOBUNXQRONCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(15-8-5-4-6-9-15)19(3)14(2)17(20)18-12-16-10-7-11-21-16/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-phenylethyl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 47010669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).