N-pentan-3-yl-2-(2-phenylethylamino)acetamide

C15H24N2O — CID 60671321

IUPACN-pentan-3-yl-2-(2-phenylethylamino)acetamide
SMILESCCC(CC)NC(=O)CNCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-14(4-2)17-15(18)12-16-11-10-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3,(H,17,18)
InChIKeyXQAPFILFEXQCNU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds8

About N-pentan-3-yl-2-(2-phenylethylamino)acetamide

N-pentan-3-yl-2-(2-phenylethylamino)acetamide (PubChem CID 60671321) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-pentan-3-yl-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-(2-phenylethylamino)acetamide
PubChem CID60671321
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-pentan-3-yl-2-(2-phenylethylamino)acetamide
SMILESCCC(CC)NC(=O)CNCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-14(4-2)17-15(18)12-16-11-10-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3,(H,17,18)
InChIKeyXQAPFILFEXQCNU-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
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-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54814878
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
N-(1-chlorobutan-2-yl)-4-phenylbutanamide
CID 114294201
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
N-hexan-3-yl-2-phenylacetamide
CID 129166933
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
2-(2-phenylethylamino)butan-1-ol
CID 17157372
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-pentan-3-yl-2-(2-phenylethylamino)acetamide (CID 60671321) is N-pentan-3-yl-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-pentan-3-yl-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-pentan-3-yl-2-(2-phenylethylamino)acetamide is CCC(CC)NC(=O)CNCCc1ccccc1.
What is the InChIKey of N-pentan-3-yl-2-(2-phenylethylamino)acetamide?
The InChIKey is XQAPFILFEXQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(4-2)17-15(18)12-16-11-10-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3,(H,17,18).
What are the key properties of N-pentan-3-yl-2-(2-phenylethylamino)acetamide?
N-pentan-3-yl-2-(2-phenylethylamino)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 60671321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).