N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C16H20N2O3 — CID 84585411

IUPACN-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)C1=CCCCO1
InChIInChI=1S/C16H20N2O3/c19-15(12-13-6-2-1-3-7-13)17-9-10-18-16(20)14-8-4-5-11-21-14/h1-3,6-8H,4-5,9-12H2,(H,17,19)(H,18,20)
InChIKeyGAVYDLZNWXRUOI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.16
Rot. Bonds6

About N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 84585411) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID84585411
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)C1=CCCCO1
InChIInChI=1S/C16H20N2O3/c19-15(12-13-6-2-1-3-7-13)17-9-10-18-16(20)14-8-4-5-11-21-14/h1-3,6-8H,4-5,9-12H2,(H,17,19)(H,18,20)
InChIKeyGAVYDLZNWXRUOI-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97234715
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18108680
N-ethyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393518
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 84585411) is N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Cc1ccccc1)NCCNC(=O)C1=CCCCO1.
What is the InChIKey of N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is GAVYDLZNWXRUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(12-13-6-2-1-3-7-13)17-9-10-18-16(20)14-8-4-5-11-21-14/h1-3,6-8H,4-5,9-12H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 84585411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).