(Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide

C15H19NO3 — CID 170877017

IUPAC(Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide
SMILESCOc1ccccc1C1(/C=C\C(N)=O)CCOCC1
InChIInChI=1S/C15H19NO3/c1-18-13-5-3-2-4-12(13)15(7-6-14(16)17)8-10-19-11-9-15/h2-7H,8-11H2,1H3,(H2,16,17)/b7-6-
InChIKeyUAHQAEQGUBKPIQ-SREVYHEPSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide

(Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide (PubChem CID 170877017) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide
PubChem CID170877017
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide
SMILESCOc1ccccc1C1(/C=C\C(N)=O)CCOCC1
InChIInChI=1S/C15H19NO3/c1-18-13-5-3-2-4-12(13)15(7-6-14(16)17)8-10-19-11-9-15/h2-7H,8-11H2,1H3,(H2,16,17)/b7-6-
InChIKeyUAHQAEQGUBKPIQ-SREVYHEPSA-N
XLogP1.78
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
1-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropane-1-carboxamide
CID 122276415
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
CID 919628
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide (CID 170877017) is (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide is COc1ccccc1C1(/C=C\C(N)=O)CCOCC1.
What is the InChIKey of (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide?
The InChIKey is UAHQAEQGUBKPIQ-SREVYHEPSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-13-5-3-2-4-12(13)15(7-6-14(16)17)8-10-19-11-9-15/h2-7H,8-11H2,1H3,(H2,16,17)/b7-6-.
What are the key properties of (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide?
(Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(2-methoxyphenyl)oxan-4-yl]prop-2-enamide is sourced from PubChem (CID 170877017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).