N-(3-amino-3-phenylpropyl)oxane-2-carboxamide

C15H22N2O2 — CID 80506763

IUPACN-(3-amino-3-phenylpropyl)oxane-2-carboxamide
SMILESNC(CCNC(=O)C1CCCCO1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-13(12-6-2-1-3-7-12)9-10-17-15(18)14-8-4-5-11-19-14/h1-3,6-7,13-14H,4-5,8-11,16H2,(H,17,18)
InChIKeyYAZVWJJPNXZIHO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)oxane-2-carboxamide

N-(3-amino-3-phenylpropyl)oxane-2-carboxamide (PubChem CID 80506763) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)oxane-2-carboxamide
PubChem CID80506763
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-amino-3-phenylpropyl)oxane-2-carboxamide
SMILESNC(CCNC(=O)C1CCCCO1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-13(12-6-2-1-3-7-12)9-10-17-15(18)14-8-4-5-11-19-14/h1-3,6-7,13-14H,4-5,8-11,16H2,(H,17,18)
InChIKeyYAZVWJJPNXZIHO-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540911
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)oxane-2-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)oxane-2-carboxamide (CID 80506763) is N-(3-amino-3-phenylpropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)oxane-2-carboxamide is NC(CCNC(=O)C1CCCCO1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)oxane-2-carboxamide?
The InChIKey is YAZVWJJPNXZIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13(12-6-2-1-3-7-12)9-10-17-15(18)14-8-4-5-11-19-14/h1-3,6-7,13-14H,4-5,8-11,16H2,(H,17,18).
What are the key properties of N-(3-amino-3-phenylpropyl)oxane-2-carboxamide?
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)oxane-2-carboxamide is sourced from PubChem (CID 80506763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).