N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide

C17H26N2O2 — CID 119430513

IUPACN-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
SMILESCNCCCNC(=O)C1CCCOC1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)16-15(5-3-12-21-16)17(20)19-11-4-10-18-2/h6-9,15-16,18H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKeyOGFMEFYYXMSVFW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide

N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide (PubChem CID 119430513) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
PubChem CID119430513
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
SMILESCNCCCNC(=O)C1CCCOC1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)16-15(5-3-12-21-16)17(20)19-11-4-10-18-2/h6-9,15-16,18H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKeyOGFMEFYYXMSVFW-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
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

4-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]butanoic acid
CID 119171119
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
N-[2-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide;hydrochloride
CID 120830094
(2R,3R)-2-(4-methylphenyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]oxane-3-carboxamide
CID 100832650
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 119445798
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide
CID 119640603
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 120508179
(2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565011
(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565010
2-methyl-5-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]benzoic acid
CID 119255380
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide (CID 119430513) is N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide is CNCCCNC(=O)C1CCCOC1c1ccc(C)cc1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide?
The InChIKey is OGFMEFYYXMSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)16-15(5-3-12-21-16)17(20)19-11-4-10-18-2/h6-9,15-16,18H,3-5,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide?
N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 119430513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).