N-(3-amino-3-phenylpropyl)oxane-4-carboxamide

C15H22N2O2 — CID 80506614

IUPACN-(3-amino-3-phenylpropyl)oxane-4-carboxamide
SMILESNC(CCNC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(12-4-2-1-3-5-12)6-9-17-15(18)13-7-10-19-11-8-13/h1-5,13-14H,6-11,16H2,(H,17,18)
InChIKeyZCJSJLUAAIGXBD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)oxane-4-carboxamide

N-(3-amino-3-phenylpropyl)oxane-4-carboxamide (PubChem CID 80506614) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)oxane-4-carboxamide
PubChem CID80506614
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-amino-3-phenylpropyl)oxane-4-carboxamide
SMILESNC(CCNC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(12-4-2-1-3-5-12)6-9-17-15(18)13-7-10-19-11-8-13/h1-5,13-14H,6-11,16H2,(H,17,18)
InChIKeyZCJSJLUAAIGXBD-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)oxane-4-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)oxane-4-carboxamide (CID 80506614) is N-(3-amino-3-phenylpropyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)oxane-4-carboxamide is NC(CCNC(=O)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)oxane-4-carboxamide?
The InChIKey is ZCJSJLUAAIGXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(12-4-2-1-3-5-12)6-9-17-15(18)13-7-10-19-11-8-13/h1-5,13-14H,6-11,16H2,(H,17,18).
What are the key properties of N-(3-amino-3-phenylpropyl)oxane-4-carboxamide?
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.62, 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-4-carboxamide is sourced from PubChem (CID 80506614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).