N-(2-phenylethyl)-2-(propylamino)acetamide

C13H20N2O — CID 54818782

IUPACN-(2-phenylethyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-9-14-11-13(16)15-10-8-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3,(H,15,16)
InChIKeyPUCULAHGQZAQSO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.34
Rot. Bonds7

About N-(2-phenylethyl)-2-(propylamino)acetamide

N-(2-phenylethyl)-2-(propylamino)acetamide (PubChem CID 54818782) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(propylamino)acetamide
PubChem CID54818782
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-phenylethyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-9-14-11-13(16)15-10-8-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3,(H,15,16)
InChIKeyPUCULAHGQZAQSO-UHFFFAOYSA-N
XLogP1.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-[(N'-methyl-N-propylcarbamimidoyl)amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111226914
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride
CID 46224006
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(propylamino)acetamide (CID 54818782) is N-(2-phenylethyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(propylamino)acetamide is CCCNCC(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(propylamino)acetamide?
The InChIKey is PUCULAHGQZAQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-9-14-11-13(16)15-10-8-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3,(H,15,16).
What are the key properties of N-(2-phenylethyl)-2-(propylamino)acetamide?
N-(2-phenylethyl)-2-(propylamino)acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(propylamino)acetamide is sourced from PubChem (CID 54818782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).