N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide

C18H28N2O3 — CID 120886456

IUPACN-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCOCC1CCCO1
InChIInChI=1S/C18H28N2O3/c19-10-12-20(11-8-16-5-2-1-3-6-16)18(21)9-14-22-15-17-7-4-13-23-17/h1-3,5-6,17H,4,7-15,19H2
InChIKeyXVXLFKBPGWWGJY-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.60
Rot. Bonds10

About N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide (PubChem CID 120886456) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
PubChem CID120886456
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCOCC1CCCO1
InChIInChI=1S/C18H28N2O3/c19-10-12-20(11-8-16-5-2-1-3-6-16)18(21)9-14-22-15-17-7-4-13-23-17/h1-3,5-6,17H,4,7-15,19H2
InChIKeyXVXLFKBPGWWGJY-UHFFFAOYSA-N
XLogP1.60
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885197
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
CID 120886452
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide (CID 120886456) is N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide is NCCN(CCc1ccccc1)C(=O)CCOCC1CCCO1.
What is the InChIKey of N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide?
The InChIKey is XVXLFKBPGWWGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c19-10-12-20(11-8-16-5-2-1-3-6-16)18(21)9-14-22-15-17-7-4-13-23-17/h1-3,5-6,17H,4,7-15,19H2.
What are the key properties of N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120886456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).