3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide

C16H24N2O2 — CID 60953285

IUPAC3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
SMILESCCN(CC1CCOC1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-18(11-13-8-9-20-12-13)16(19)10-15(17)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,17H2,1H3
InChIKeyAXODVXKZNRNIEE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds6

About 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide

3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide (PubChem CID 60953285) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
PubChem CID60953285
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
SMILESCCN(CC1CCOC1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-18(11-13-8-9-20-12-13)16(19)10-15(17)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,17H2,1H3
InChIKeyAXODVXKZNRNIEE-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
CID 95621072
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55745103
N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
CID 55744625
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide (CID 60953285) is 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide is CCN(CC1CCOC1)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide?
The InChIKey is AXODVXKZNRNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18(11-13-8-9-20-12-13)16(19)10-15(17)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,17H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide?
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 60953285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).